SCHEMBL7239677

SCHEMBL7239677

CS(=O)(=O)NC1CNc2ccc(Br)cc2C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 12/20 0.46
BRD4 O60885 1/20 0.36
EPHX2 P34913 1/20 0.36
ADRA2A P08913 3/20 0.35
PNMT P11086 3/20 0.35
ADRA2B P18089 3/20 0.35
ADRA2C P18825 3/20 0.35
TGM2 P21980 1/20 0.34
CES1 P23141 1/20 0.34
SLC22A12 Q96S37 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL650261 0.83 HDAC8 (0.56) HDAC8
SCHEMBL8160279 0.80 GRIA2 (0.44) ADRA2APNMTADRA2BADRA2C
SCHEMBL7239168 0.77 HDAC8 (0.52) HDAC8EPHX2HDAC1HDAC6
SCHEMBL464347 0.74 EPHX2 (0.70) HDAC8EPHX2
SCHEMBL7420139 0.73 PNMT (0.45) BRD4ADRA2APNMTADRA2BADRA2C
SCHEMBL7420138 0.73 PNMT (0.45) BRD4ADRA2APNMTADRA2BADRA2C
SCHEMBL5862840 0.73 MALT1 (0.47)
SCHEMBL22397460 0.70 PNMT (0.38) HDAC8BRD4ADRA2APNMTADRA2B
SCHEMBL7245975 0.70 KDM1A (0.40) BRD4ADRA2APNMTADRA2BADRA2C
SCHEMBL17785800 0.70 PNMT (0.46) BRD4ADRA2APNMTADRA2BADRA2C

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