SCHEMBL6618360

SCHEMBL6618360

O=C1NC(Cc2ccccc2)CNc2ccc(Br)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TACR2 P21452 5/20 0.41
TGM2 P21980 1/20 0.37
CES1 P23141 1/20 0.37
LRRK2 Q5S007 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALDH2 P05091 1/20 0.36
ALDH3A1 P30838 1/20 0.36
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
HSP90AA1 P07900 1/20 0.36
CCNB1 P14635 1/20 0.36
CCR6 P51684 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRA5 P31644 1/20 0.35

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 0.75 GABRA1 (0.46) TGM2CES1LRRK2CCNB2CDK1
SCHEMBL6617124 0.75 GABRA1 (0.46) TGM2CES1LRRK2CCNB2CDK1
SCHEMBL6617818 0.75 TGM2 (0.35) MEN1KMT2ATGM2CES1LRRK2
SCHEMBL16928440 0.74 MEN1 (0.59) MEN1KMT2ATACR2POLB
SCHEMBL15508246 0.74 MEN1 (0.59) MEN1KMT2ATACR2POLB
SCHEMBL6616133 0.74 MEN1 (0.68) MEN1KMT2APOLB
SCHEMBL6618053 0.74 MEN1 (0.68) MEN1KMT2APOLB
SCHEMBL7240996 0.73 MEN1 (0.43) MEN1KMT2ATACR2POLB
SCHEMBL410596 0.71 MEN1 (0.47) MEN1KMT2ATACR2POLBMAPT
SCHEMBL5496563 0.71 MEN1 (0.47) MEN1KMT2ATACR2POLBMAPT

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