SCHEMBL6616256

SCHEMBL6616256

COC(=O)C(Cc1ccccc1)NCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
ITGA4 P13612 7/20 0.55
ITGB7 P26010 7/20 0.55
ATM Q13315 1/20 0.50
KDM4A O75164 1/20 0.49
PTPN1 P18031 1/20 0.48

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
SCHEMBL6616257 1.00 ALDH1A1 (0.60) ALDH1A1ITGA4ITGB7ATMKDM4A
SCHEMBL14921097 0.87 ALDH1A1 (0.66) ALDH1A1ITGA4ITGB7KDM4APTPN1
SCHEMBL7513811 0.85 ITGA4 (0.51) ALDH1A1ITGA4ITGB7ATM
SCHEMBL5842386 0.84 ALDH1A1 (0.49) ALDH1A1PTPN1
SCHEMBL3970236 0.83 ALDH1A1 (0.57) ALDH1A1ITGA4ITGB7KDM4A
SCHEMBL3970237 0.83 ALDH1A1 (0.57) ALDH1A1ITGA4ITGB7KDM4A
SCHEMBL6806963 0.81 ITGA4 (0.59) ITGA4ITGB7ATM
SCHEMBL6801977 0.81 ITGA4 (0.59) ITGA4ITGB7ATM
SCHEMBL14921093 0.81 ALDH1A1 (0.46) ALDH1A1PTPN1
SCHEMBL5276860 0.80 ALDH1A1 (0.50) ALDH1A1ATM

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