SCHEMBL7626952

SCHEMBL7626952

COc1cccc(OC)c1NC(=O)c1ccc2nc(OC(N)=O)sc2c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.55
NPC1 O15118 6/20 0.55
POLB P06746 2/20 0.50
MAPT P10636 1/20 0.50
KDM4E B2RXH2 2/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 3/20 0.48
LCK P06239 7/20 0.47
RXFP1 Q9HBX9 2/20 0.47
SCD O00767 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL7631048 0.87 LCK (0.61) ALDH1A1LCK
SCHEMBL7631046 0.83 LCK (0.70) LCK
SCHEMBL7628467 0.82 LCK (0.67) LCK
SCHEMBL7623677 0.82 RAB9A (0.50) RAB9ANPC1POLBMAPTKDM4E
SCHEMBL7626906 0.82 NPC1 (0.46) RAB9ANPC1HTTALDH1A1LCK
SCHEMBL7626181 0.81 LCK (0.62) LCK
SCHEMBL6058341 0.81 LCK (0.61) RAB9ANPC1KDM4EHTTL3MBTL1
SCHEMBL7626085 0.80 LCK (0.49) RAB9ANPC1ALDH1A1LCKLMNA
SCHEMBL7623796 0.79 LCK (0.52) LCKMEN1KMT2A
SCHEMBL7632108 0.78 LCK (0.64) LCK

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