SCHEMBL6617124

SCHEMBL6617124

O=C1NC(Cc2ccccc2)C(=O)Nc2ccc(Br)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
MGAT2 Q10469 1/20 0.46
TGM2 P21980 1/20 0.44
CES1 P23141 1/20 0.44
TP53 P04637 3/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
HDAC8 Q9BY41 2/20 0.43
LRRK2 Q5S007 1/20 0.42
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
HSP90AA1 P07900 1/20 0.41
CCNB1 P14635 1/20 0.41
CCR6 P51684 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
LMNA P02545 2/20 0.40

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
SCHEMBL6619605 1.00 GABRA1 (0.46) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL6615675 0.87 TGM2 (0.42) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL6616723 0.86 GSK3B (0.49) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL6616715 0.86 GSK3B (0.49) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL6620939 0.84 CCKBR (0.47) MGAT2TGM2CES1HDAC8LRRK2
SCHEMBL6616775 0.84 MAOA (0.51) MGAT2TP53MAPTHDAC8LRRK2
SCHEMBL6635223 0.84 CCKBR (0.47) MGAT2TGM2CES1HDAC8LRRK2
SCHEMBL8871785 0.83 GFER (0.52) MGAT2TP53MAPTHDAC8LRRK2
SCHEMBL8871789 0.83 GFER (0.52) MGAT2TP53MAPTHDAC8LRRK2
SCHEMBL9054730 0.83 GFER (0.52) MGAT2TP53MAPTHDAC8LRRK2

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 8 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-6458783-B1 INHIBITION OF FARNESYL TRANSFERASE, WHICH IS AN ENZYME INVOLVED IN RAS ONCOGENE EXPRESSION, IS EFFECTED BY COMPOUNDS OF THE FORMULAS OF BENODIAZEPINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2002-10-01 US disclosed
US-6455523-B1 ADMINISTERING 1,4-BENZODIAZEPINE DERIVATIVE AS ANTITUMOR OR ANTICARCINOGENIC AGENT BRISTOL-MYERS SQUIBB COMPANY 2002-09-24 US disclosed
WO-2001081322-A1 NON-IMIDAZOLE BENZODIAZEPINE INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 2001-11-01 WO 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