SCHEMBL7960671

SCHEMBL7960671

N#CCSc1ccc(F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
PDE10A Q9Y233 2/20 0.38
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
HTR2A P28223 2/20 0.36
PTGS2 P35354 1/20 0.36
CA2 P00918 4/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL9081050 0.84 HTR1A (0.35) RXFP1ALDH1A1KDM4EGLAHPGD
SCHEMBL7826507 0.81 SLC6A2 (0.43) RXFP1ALDH1A1KDM4EGLAHPGD
SCHEMBL7836392 0.78 ALDH1A1 (0.41) RXFP1ALDH1A1KDM4EGLAHPGD
SCHEMBL7841622 0.74 HTR2A (0.38) RXFP1ALDH1A1KDM4EGLAHPGD
SCHEMBL29722933 0.74 DDR1 (0.38) ALDH1A1HTR2APTGS2CA2IDO1
SCHEMBL779536 0.74 DDR1 (0.38) ALDH1A1HTR2APTGS2CA2IDO1
SCHEMBL7836896 0.72 ALDH1A1 (0.46) RXFP1ALDH1A1KDM4EGLAHPGD
SCHEMBL7952409 0.71 MAOA (0.52) RXFP1ALDH1A1KDM4EGLAHPGD
SCHEMBL775820 0.71 ALDH1A1 (0.35) ALDH1A1KDM4EPTGS2CA2CA9
SCHEMBL29722960 0.71 ALDH1A1 (0.35) ALDH1A1KDM4EPTGS2CA2CA9

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 3 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