SCHEMBL7964772

SCHEMBL7964772

N#CC(S)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.44
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
PDE2A O00408 1/20 0.38
ACP3 P15309 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
ALDH1A1 P00352 3/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALOX15 P16050 1/20 0.35
BRCA1 P38398 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP19A1 P11511 1/20 0.35
ORAI1 Q96D31 1/20 0.34
ORAI2 Q96SN7 1/20 0.34
ORAI3 Q9BRQ5 1/20 0.34
TRPV6 Q9H1D0 1/20 0.34

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
SCHEMBL9781891 0.79 CES2 (0.43) KIF11CES2CES1PDE2AACP3
SCHEMBL30564943 0.79 FFAR1 (0.40) KIF11CES2CES1PDE2AACP3
SCHEMBL17465918 0.78 KIF11 (0.47) KIF11CES2CES1PDE2AACP3
SCHEMBL7952419 0.77 PNMT (0.47) CES2ACP3TAAR1TSHRMGLL
SCHEMBL195126 0.77 KIF11 (0.45) KIF11CES2CES1PDE2AACP3
SCHEMBL7952407 0.76 LMNA (0.46) ALDH1A1KDM4EKMT2A
SCHEMBL29179936 0.75 KIF11 (0.44) KIF11CES2CES1PDE2AACP3
SCHEMBL15775923 0.75 KIF11 (0.44) KIF11CES2CES1PDE2AACP3
SCHEMBL5353277 0.75 TSHR (0.54) KIF11CES2CES1PDE2AACP3
SCHEMBL6908520 0.75 TSHR (0.54) KIF11CES2CES1PDE2AACP3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6225346-B1 FOR THERAPY AND PROPHYLAXIS OF CELL PROLIFERATIVE DISORDERS OR CELL DIFFERENTIATION DISORDERS ASSOCIATED WITH PARTICULAR TYROSINE KINASES BY INHIBITING ONE OR MORE ABNORMAL TYROSINE KINASE ACTIVITIES SUGEN, INC. 2001-05-01 US disclosed
US-5935993-A TYROSINE KINASE INHIBITORS; TREATMENT OF CELL GROWTH, CELL DIFFERENTIATION DISORDERS SUGEN, INC. (US) 1999-08-10 US disclosed
US-5891917-A MODULATING TYROSINE SIGNAL TRANSDUCTION TO PREVENT AND TREAT CELL PROLIFERATIVE DISORDERS OR CELL DIFFERENTIATION DISORDERS ASSOCIATED WITH PARTICULAR TYROSINE KINASES BY INHIBITING ONE OR MORE ABNORMAL TYROSINE KINASE ACTIVITIES SUGEN, INC. (US) 1999-04-06 US disclosed
WO-1996040629-A1 TYRPHOSTIN-LIKE COMPOUNDS FOR THE TREATMENT OF CELL PROLIFERATIVE DISORDERS OR CELL DIFFERENTIATION DISORDERS SUGEN, INC. (US) 1996-12-19 WO disclosed
US-4405639-A INSECTICIDES; PESTICIDES; MITICIDES; NEMATOCIDES; PARACITICIDES BAYER AKTIENGESELLSCHAFT (DE) 1983-09-20 US disclosed
US-4348323-A FLUORINE-CONTAINING BENZODIOXINE INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1982-09-07 US disclosed
US-4284643-A Combating arthropods with novel fluorine-containing phenylacetic acid esters BAYER AKTIENGESELLSCHAFT (DE) 1981-08-18 US disclosed