SCHEMBL27353

SCHEMBL27353

O=[C]NCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.48
CA12 O43570 2/20 0.48
CA7 P43166 2/20 0.48
CA14 Q9ULX7 2/20 0.48
ADH1B P00325 1/20 0.48
ADH1C P00326 1/20 0.48
ADH1A P07327 1/20 0.48
ADH7 P40394 1/20 0.48
IDO1 P14902 2/20 0.48
THRB P10828 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CYP3A4 P08684 2/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CA1 P00915 2/20 0.45
KEAP1 Q14145 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL5451692 0.87 LMNA (0.49) CA2MEN1KMT2ACA1ALDH1A1
SCHEMBL3305873 0.87 LMNA (0.49) CA2MEN1KMT2ACA1ALDH1A1
SCHEMBL5428904 0.82 HDAC1 (0.45) ADH1BADH1CADH1AADH7IDO1
SCHEMBL5428909 0.82 HDAC1 (0.45) ADH1BADH1CADH1AADH7IDO1
SCHEMBL3311308 0.82 LTA4H (0.50) MEN1KMT2ACYP3A4KDM4EALDH1A1
SCHEMBL6098798 0.81 MEN1 (0.68) ADH1BADH1CADH1AADH7MEN1
SCHEMBL4560416 0.79 IDO1 (0.52) CA2CA12CA7CA14ADH1B
SCHEMBL4633460 0.76 LMNA (0.47) CA2MEN1KMT2AMAPTHSD17B10
SCHEMBL43650 0.76 GFER (0.44) CA2CA12CA7MEN1KMT2A
SCHEMBL1486307 0.76 LMNA (0.47) CA2IDO1KMT2ACYP3A4CA1

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 5836 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5155863-A None JP claimed
CN-118164998-A Sesquiterpene lactone scaberol C dithio carbamate derivative and preparation method and application thereof 沈阳药科大学 2024-06-11 CN claimed
CN-118164996-A Sesquiterpene lactone scaberol C selenoether derivative, preparation method and application thereof 沈阳药科大学 2024-06-11 CN claimed
CN-118164997-A Sesquiterpene lactone scaberol C thioether derivative, and preparation method and application thereof 沈阳药科大学 2024-06-11 CN claimed
US-11891388-B2 Pyrazolopyridine compounds and uses thereof INCYTE CORPORATION (US) 2024-02-06 US claimed
WO-2023189782-A1 PLANT DISEASE CONTROL COMPOSITION, PREPARATION, AND PLANT DISEASE CONTROL METHOD 株式会社MMAG 2023-10-05 WO claimed
US-20230242494-A1 MALONITRILE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-08-03 US claimed
US-20230131260-A1 SUBSTITUTED THIOPHENYL URACILS, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS SYNGENTA CROP PROTECTION AG (CH) 2023-04-27 US claimed
US-11618744-B2 Benzoimidazoles as prolyl hydroxylase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2023-04-04 US claimed
EP-4153577-A1 NEW MALONITRILE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-03-29 EP claimed
EP-0016411-B1 5(10- 9)ABEO-ERGOLINE DERIVATIVES, THEIR PREPARATION, AND THERAPEUTIC COMPOSITIONS CONTAINING THEM FARMITALIA CARLO ERBA S.p.A. (IT) 1982-09-29 EP claimed
US-4317912-A Tetracyclic indole derivatives FARMITALIA CARLO ERBA S.P.A. (IT) 1982-03-02 US claimed
US-4315855-A Monoazo disperse dyes containing a nitrophenyl group and a homophthalimide group BASF AKTIENGESELLSCHAFT (DE) 1982-02-16 US claimed
EP-0037372-A1 1:1-Nickel complexes of isoindoline azine, process for their preparation and their use CIBA-GEIGY AG (CH) 1981-10-07 EP claimed
EP-0003584-B1 PHENOXYPROPANOIC ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES BAYER AG (DE) 1981-01-21 EP claimed
EP-0016411-A2 5(10- 9)Abeo-ergoline derivatives, their preparation, and therapeutic compositions containing them FARMITALIA CARLO ERBA S.p.A. (IT) 1980-10-01 EP claimed
EP-0003584-A1 Phenoxypropanoic acid derivatives, process for their preparation and their use as herbicides BAYER AG (DE) 1979-08-22 EP claimed
EP-0003586-A1 Phenoxyacetic acid derivatives, process for their preparation and their application as herbicides BAYER AG (DE) 1979-08-22 EP claimed
US-4150240-A Method for preparing d-penicillamine and salts thereof TAISHO PHARMACEUTICAL CO., LTD. (JP) 1979-04-17 US claimed
US-3956326-A AZO DYE BASF AKTIENGESELLSCHAFT (DT) 1976-05-11 US claimed