SCHEMBL54175

SCHEMBL54175

N#CSCSc1nc2ccccc2s1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.73
CYP2D6 P10635 3/20 0.73
CYP2C19 P33261 3/20 0.73
CYP3A4 P08684 2/20 0.73
L3MBTL1 Q9Y468 2/20 0.73
MAPK1 P28482 2/20 0.73
HIF1A Q16665 1/20 0.73
CYP2C9 P11712 1/20 0.56
STAT6 P42226 1/20 0.56
POLB P06746 3/20 0.55
APEX1 P27695 1/20 0.55
RECQL P46063 1/20 0.55
ALDH1A1 P00352 6/20 0.54
HSD17B10 Q99714 4/20 0.54
HPGD P15428 3/20 0.54
FBP1 P09467 2/20 0.54
ADRA2A P08913 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
DRD2 P14416 1/20 0.54
ALOX15 P16050 1/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29352673 1.00 CYP1A2 (0.73) CYP1A2CYP2D6CYP2C19CYP3A4L3MBTL1
SCHEMBL8887013 1.00 CYP1A2 (0.73) CYP1A2CYP2D6CYP2C19CYP3A4L3MBTL1
Thiocyanic Acid SCHEMBL8734334 0.96 CYP1A2 (0.67) CYP1A2CYP2D6CYP2C19CYP3A4L3MBTL1
Dimethylamine SCHEMBL8652976 0.94 CYP1A2 (0.65) CYP1A2CYP2D6CYP2C19CYP3A4L3MBTL1
2-Mercaptobenzothiazole SCHEMBL8153954 0.92 CYP1A2 (0.61) CYP1A2CYP2D6CYP2C19CYP3A4L3MBTL1
Urea SCHEMBL28131099 0.92 CYP1A2 (0.61) CYP1A2CYP2D6CYP2C19CYP3A4L3MBTL1
Glutaral SCHEMBL9224584 0.88 CYP1A2 (0.57) CYP1A2CYP2D6CYP2C19CYP3A4L3MBTL1
Di(Hydroxyethyl)Ether SCHEMBL9867190 0.88 CYP1A2 (0.57) CYP1A2CYP2D6CYP2C19CYP3A4L3MBTL1
SCHEMBL4564792 0.87 CYP1A2 (0.56) CYP1A2CYP2D6CYP2C19CYP3A4L3MBTL1
SCHEMBL7198792 0.86 CYP1A2 (0.76) CYP1A2CYP2D6CYP2C19CYP3A4L3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 19634 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026105160-A1 NOVEL AGROCHEMICAL COMPOSITION COMPRISING 3-SUBSTITUTED PHENYLAMIDINE COMPOUNDS AND USE THEREOF PI INDUSTRIES LTD. (IN) 2026-05-21 WO claimed
US-20260078296-A1 SUSTAINED-RELEASE SCALE INHIBITORS Materials Engineering and Technical Support Services (US) 2026-03-19 US claimed
EP-4114183-B1 FUNGICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2026-02-25 EP claimed
US-20260035753-A1 METHODS OF DETERMINING BACTERIA AND MANUFACTURING A FIBROUS WEB AND TOOLS AND USES RELATED THERETO KEMIRA OYJ (FI) 2026-02-05 US claimed
US-20260008730-A1 CONDITIONING OF CORN STEEP LIQUOR TO PRODUCE HIGH ADDED VALUE ORGANIC MATTER FOR BIOSTIMULANT USE IN PLANTS ATLANTICA AGRICOLA S A (ES) 2026-01-08 US claimed
EP-3060043-B1 PESTICIDAL COMPOSITIONS AND RELATED METHODS CORTEVA AGRISCIENCE LLC (US) 2025-11-26 EP claimed
EP-3578542-B1 COMPOSITIONS HAVING PESTICIDAL UTILITY AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2025-11-12 EP claimed
EP-4384016-B1 ACTIVE COMPOUND COMBINATIONS AND FUNGICIDE COMPOSITIONS COMPRISING THOSE BAYER AG (DE) 2025-09-03 EP claimed
EP-3578543-B1 COMPOSITIONS COMPRISING MOLECULES HAVING PESTICIDAL UTILITY AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2025-08-20 EP claimed
EP-3707307-B1 METHOD FOR MANUFACTURING A FIBROUS WEB KEMIRA OYJ (FI) 2025-07-23 EP claimed
US-4764214-A AND QUATERNARY AMMONIUM COMPOUND DR. WOLMAN GMBH (DE) 1988-08-16 US claimed
US-4755609-A Process for the preparation of thiocyanatomethylthiobenzothiazoles BAYER AKTIENGESELLSCHAFT (DE) 1988-07-05 US claimed
EP-0270742-A1 Microencapsulated fungicide ATOCHEM NORTH AMERICA, INC. (a Pennsylvania corp.) (US) 1988-06-15 EP claimed
EP-0266110-A1 A microbicidal preservative composition BUCKMAN LABORATORIES INTERNATIONAL, INC. (US) 1988-05-04 EP claimed
EP-0236005-A2 Controllably and swiftly degradable polymer compositions and films and other products made therefrom Scott, Gerald (GB) 1987-09-09 EP claimed
US-4595691-A Bactericide; water treatment NALCO CHEMICAL COMPANY (US) 1986-06-17 US claimed
US-4479961-A Synergistic fungicide/biocide of 2-(thiocyanomethylthio) benzothiazole and bis (trichloromethyl) sulfone NALCO CHEMICAL COMPANY (US) 1984-10-30 US claimed
US-4293559-A Slime control compositions and methods of using the same BUCKMAN LABORATORIES, INC. (US) 1981-10-06 US claimed
US-4285765-A WATER TREATMENT BUCKMAN LABORATORIES, INC. (US) 1981-08-25 US claimed
US-4000290-A FUNGISTATIC COMPOSITION FOR TREATING SEEDS USING A MIXTURE OF A SUBSTITUTED BENZIMIDAZOLE AND 2-(THIOCYANOMETHYLTHIO)-BENZOTHIAZOLE C. F. SPIESS & SOHN (DT) 1976-12-28 US claimed