SCHEMBL101523

SCHEMBL101523

Cc1ccc(F)cc1C#N

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
ALDH1A1 P00352 4/20 0.38
HSP90AB1 P08238 4/20 0.38
KDM4E B2RXH2 3/20 0.38
CYP11B2 P19099 3/20 0.38
TRPV4 Q9HBA0 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
CYP11B1 P15538 2/20 0.36
SLC22A12 Q96S37 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35
AR P10275 1/20 0.35

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
SCHEMBL30283688 1.00 TSHR (0.48) TSHRALDH1A1HSP90AB1KDM4ECYP11B2
SCHEMBL304892 0.82 TSHR (0.48) TSHRALDH1A1HSP90AB1KDM4ECYP11B2
SCHEMBL573864 0.78 MAOB (0.53) ALDH1A1KDM4ECYP11B2TRPV4MAOA
SCHEMBL18105623 0.78 ALDH1A1 (0.40) TSHRALDH1A1KDM4ECYP11B2TRPV4
SCHEMBL8404529 0.78 CYP1A2 (0.42) TSHRALDH1A1HSP90AB1KDM4ECYP1A2
SCHEMBL8404532 0.78 CYP1A2 (0.42) TSHRALDH1A1HSP90AB1KDM4ECYP1A2
SCHEMBL20076355 0.78 HSP90AB1 (0.37) HSP90AB1SLC22A12AR
SCHEMBL9939598 0.77 ACHE (0.35) ALDH1A1CYP1A2
SCHEMBL16951145 0.77 ACHE (0.35) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL3729165 0.77 TRPA1 (0.35) CYP3A4KMT2A

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

Claimed or disclosed in 282 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122071424-A Synthesis method of 4-cyano-2-fluoro-5-methyl benzoate 武汉誉祥医药科技有限公司 2026-05-22 CN claimed
EP-3692101-B1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTR S R L (IT) 2022-01-12 EP claimed
EP-3692101-A1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES Alfa Instruments S.r.l. (IT) 2020-08-12 EP claimed
WO-2019068935-A1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTRUMENTS S.R.L. (IT) 2019-04-11 WO claimed
EP-0743574-B1 Migration imaging members XEROX CORP (US) 2000-12-27 EP claimed
EP-0743573-B1 Method for obtaining image contrast migration imaging members XEROX CORP (US) 2000-09-06 EP claimed
CN-1221407-A Aminoisoquinolines and aminothienopyridine derivatives and their use as anti-inflammatory agents ASTRA PHARMA PROD (GB) 1999-06-30 CN claimed
EP-0743573-A2 Method for obtaining image contrast migration imaging members XEROX CORPORATION (US) 1996-11-20 EP claimed
EP-0743574-A2 Migration imaging members XEROX CORPORATION (US) 1996-11-20 EP claimed
US-5563014-A SOFTENABLE LAYER CONTAINIG PHOTOSENSITIVE MARKING MATERIAL; TRANSPARENTIZING AGENT XEROX CORPORATION (US) 1996-10-08 US claimed
US-5514505-A SELECTIVE TRANSPARENTIZATION OF PHOTOSENSITIVE MIGRATION MARKING PARTICLES EMBEDDED NEAR THE SURFACE OF A SOFTENABLE LAYER SUPPORTED BY AN ELECTROCONDUCTIVE SUBSTRATE XEROX CORPORATION (US) 1996-05-07 US claimed
CN-122071424-A Synthesis method of 4-cyano-2-fluoro-5-methyl benzoate 武汉誉祥医药科技有限公司 2026-05-22 CN disclosed
CN-122071424-A Synthesis method of 4-cyano-2-fluoro-5-methyl benzoate 武汉誉祥医药科技有限公司 2026-05-22 CN disclosed
EP-3887359-B1 NOVEL TETRAZINE COMPOUNDS FOR IN VIVO IMAGING UNIV COPENHAGEN (DK) 2026-05-06 EP disclosed
EP-4301736-B1 MACROCYCLIC COMPOUNDS AS PROTEASOME SUBUNIT BETA TYPE-5 INHIBITORS LEAD DISCOVERY CENTER GMBH (DE) 2025-10-08 EP disclosed
US-5514505-A SELECTIVE TRANSPARENTIZATION OF PHOTOSENSITIVE MIGRATION MARKING PARTICLES EMBEDDED NEAR THE SURFACE OF A SOFTENABLE LAYER SUPPORTED BY AN ELECTROCONDUCTIVE SUBSTRATE XEROX CORPORATION (US) 1996-05-07 US disclosed
EP-0214793-B1 (2-CYANO-2-ARYLETHYL)PYRIDINES, THEIR PREPARATION AND USE AS FUNGICIDES ROHM AND HAAS COMPANY (US) 1990-06-13 EP disclosed
US-4933339-A PHYTOPATHOGENS ROHM AND HAAS COMPANY (US) 1990-06-12 US disclosed
EP-0214793-A1 (2-Cyano-2-arylethyl)pyridines, their preparation and use as fungicides ROHM AND HAAS COMPANY (US) 1987-03-18 EP disclosed
US-4244966-A 1,3-Dihydro-3-(2-hydroxy-, 2-bromo- or 2-chloroethyl)-2H-isoindol-1-one derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1981-01-13 US disclosed