SCHEMBL7632422

SCHEMBL7632422

Cc1cc(C)cc(-c2ccc(NC(=O)c3ccc4nc(OC(N)=O)sc4c3)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.53
NPC1 O15118 8/20 0.53
RXFP1 Q9HBX9 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
POLB P06746 1/20 0.48
LCK P06239 7/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HTT P42858 2/20 0.45
KDM4E B2RXH2 1/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL7631046 0.83 LCK (0.70) LCK
SCHEMBL7627377 0.82 RAB9A (0.56) RAB9ANPC1RXFP1MEN1KMT2A
SCHEMBL6058380 0.81 LCK (0.60) RAB9ANPC1RXFP1MEN1KMT2A
SCHEMBL7672583 0.80 RAB9A (0.54) RAB9ANPC1RXFP1MEN1KMT2A
SCHEMBL7631048 0.79 LCK (0.61) LCKALDH1A1
SCHEMBL7632108 0.79 LCK (0.64) LCK
SCHEMBL7623814 0.78 ALDH1A1 (0.47) RAB9ANPC1RXFP1MEN1KMT2A
SCHEMBL7647123 0.78 PLAU (0.54) RAB9ANPC1RXFP1MEN1KMT2A
SCHEMBL7626181 0.77 LCK (0.62) LCK
SCHEMBL7625982 0.76 DHODH (0.52) RAB9ANPC1RXFP1MEN1KMT2A

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
EP-1037632-A4 BENZOTHIAZOLE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2002-08-21 EP disclosed
EP-1037632-A1 BENZOTHIAZOLE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-09-27 EP disclosed
WO-1999024035-A1 BENZOTHIAZOLE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-05-20 WO disclosed