SCHEMBL7239168

SCHEMBL7239168

O=C(O)NC1CNc2ccc(Br)cc2C1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 12/20 0.52
EPHX2 P34913 1/20 0.44
MAPK1 P28482 5/20 0.40
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HTT P42858 1/20 0.36
RIPK1 Q13546 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
SCHEMBL649195 0.83 HDAC8 (0.60) HDAC8EPHX2MAPK1RIPK1
SCHEMBL464347 0.82 EPHX2 (0.70) HDAC8EPHX2MAPK1
SCHEMBL7246422 0.80 HDAC8 (0.46) HDAC8EPHX2MAPK1RIPK1
SCHEMBL429344 0.79 EPHX2 (0.66) HDAC8EPHX2MAPK1
SCHEMBL1590871 0.79 CA1 (0.44) HDAC8
SCHEMBL7239677 0.77 HDAC8 (0.46) HDAC8EPHX2HDAC1HDAC6
SCHEMBL25330218 0.77 EPHX2 (0.46) HDAC8EPHX2MAPK1HDAC1HDAC6
SCHEMBL15540370 0.76 RIPK1 (0.48) RIPK1
SCHEMBL25329800 0.76 RIPK1 (0.48) RIPK1
SCHEMBL650261 0.75 HDAC8 (0.56) HDAC8MAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6602883-B1 Inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY 2003-08-05 US disclosed
US-6387926-B1 ANTICANCER AGENTS BRISTOL-MYERS SQUIBB COMPANY 2002-05-14 US disclosed
EP-0994856-A4 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL MYERS SQUIBB CO (US) 2000-12-06 EP disclosed
EP-0994856-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 2000-04-26 EP disclosed
WO-1999001434-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1999-01-14 WO disclosed