SCHEMBL6614554

SCHEMBL6614554

c1ccc(-c2ccc3c(c2)CN(c2nc4ccccc4s2)CCN3Cc2c[nH]cn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.41
NPC1 O15118 6/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 4/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
POLB P06746 1/20 0.39
DRD4 P21917 1/20 0.38
GRM2 Q14416 1/20 0.38
SORD Q00796 1/20 0.37
MAPK1 P28482 1/20 0.37
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
CYP3A4 P08684 2/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL3501263 0.79 DRD2 (0.39) MEN1KMT2ASMN1; SMN2CYP2C9CYP2C19
SCHEMBL3500964 0.79 FNTA (0.41) DRD4MAPK1FNTAFNTBMAPT
SCHEMBL3500278 0.76 FNTA (0.50) FNTAFNTB
SCHEMBL3500345 0.76 FNTA (0.50) POLBMAPK1FNTAFNTBMAPT
SCHEMBL3499604 0.75 ALDH1A1 (0.42) SMN1; SMN2POLBFNTAFNTBMAPT
SCHEMBL3501004 0.74 FNTA (0.49) FNTAFNTB
SCHEMBL3500479 0.73 FNTA (0.51) FNTAFNTB
SCHEMBL3501079 0.73 FNTA (0.51) RAB9AMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL3502482 0.73 FNTA (0.52) MEN1KMT2APOLBMAPK1FNTA
SCHEMBL3499115 0.73 FNTA (0.56) FNTAFNTBLMNAALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1481975-A1 Inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-01 EP disclosed
EP-0892797-A4 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL MYERS SQUIBB CO (US) 2004-10-20 EP disclosed
US-6455523-B1 ADMINISTERING 1,4-BENZODIAZEPINE DERIVATIVE AS ANTITUMOR OR ANTICARCINOGENIC AGENT BRISTOL-MYERS SQUIBB COMPANY 2002-09-24 US disclosed
US-6011029-A BENZODIAZEPINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-01-04 US disclosed
EP-0892797-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1999-01-27 EP disclosed
WO-1997030992-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1997-08-28 WO disclosed