SCHEMBL6615577

SCHEMBL6615577

Cc1nc2ccccc2cnc1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 3/20 0.46
STAT3 P40763 2/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 6/20 0.43
CYP1A2 P05177 7/20 0.42
CASP3 P42574 1/20 0.42
EGFR P00533 3/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 2/20 0.41
HTR3A P46098 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GPR3 P46089 2/20 0.41
CYP2A6 P11509 1/20 0.41
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL787953 0.74 KDM4E (0.46) KDM4EALDH1A1HPGDMAPTCYP1A2
SCHEMBL196151 0.74 CYP1A2 (0.48) KDM4EALDH1A1HPGDSTAT3GAA
Formaldehyde SCHEMBL28015338 0.73 CYP1A2 (0.44) KDM4EALDH1A1HPGDSTAT3GAA
SCHEMBL23349338 0.72 CYP1A2 (0.47) KDM4EALDH1A1HPGDSTAT3GAA
Water SCHEMBL27373628 0.72 CYP1A2 (0.47) KDM4EALDH1A1HPGDSTAT3GAA
SCHEMBL3170374 0.72 ALDH1A1 (0.43) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL11389060 0.72 KDM4E (0.41) KDM4EALDH1A1HPGDMAPTCYP1A2
SCHEMBL3244662 0.72 KDM4E (0.41) KDM4EALDH1A1HPGDSTAT3GAA
SCHEMBL41506 0.70 LCK (0.50) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL29509257 0.70 LCK (0.50) KDM4EALDH1A1HPGDGAAMAPT

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