SCHEMBL7654695

SCHEMBL7654695

CC(C)(C)OC(=O)NCc1ccccc1CBr

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.54
KDM4A O75164 1/20 0.50
AKT1 P31749 1/20 0.45
NAMPT P43490 2/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
NQO2 P16083 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
RIPK1 Q13546 1/20 0.42
MALT1 Q9UDY8 1/20 0.42
IDO1 P14902 1/20 0.42
GLS O94925 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 1/20 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
SCHEMBL30159605 0.92 KCNA5 (0.56) KCNA5KDM4ANAMPTHDAC10HDAC6
SCHEMBL8018113 0.92 KCNA5 (0.56) KCNA5KDM4ANAMPTHDAC10HDAC6
SCHEMBL7257870 0.88 KCNA5 (0.49) KCNA5KDM4AAKT1NAMPTHDAC10
SCHEMBL6874894 0.86 KCNA5 (0.52) KCNA5KDM4ANAMPTHDAC10HDAC6
SCHEMBL30454240 0.86 KCNA5 (0.52) KCNA5KDM4ANAMPTHDAC10HDAC6
SCHEMBL1329466 0.84 RIPK1 (0.60) KCNA5KDM4ANAMPTHDAC10HDAC6
SCHEMBL6924987 0.84 KCNA5 (0.51) KCNA5KDM4ANAMPTHDAC10HDAC6
SCHEMBL8184051 0.84 HDAC1 (0.52) KCNA5KDM4AAKT1CA12CA1
SCHEMBL8240426 0.83 KCNA5 (0.50) KCNA5KDM4ANAMPTHDAC10HDAC6
SCHEMBL825511 0.83 KCNA5 (0.53) KCNA5KDM4ANAMPTHDAC10HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6384061-B1 HYDANTOIN COMPOUNDS REPRESENTED BY FORMULA (I) WHICH SHOWS AN INHIBITORY ACTIVITY AGAINST FARNESYL TRANSFERASE, AND THUS CAN BE USED AS AN ANTI-CANCER AGENT, OR PHARMACEUTICALLY ACCEPTABLE SALTS LG CHEMICAL LTD. (KR) 2002-05-07 US disclosed
EP-1000036-A1 HYDANTOIN DERIVATIVES HAVING AN INHIBITORY ACTIVITY FOR FARNESYL TRANSFERASE LG CHEMICAL LIMITED (KR) 2000-05-17 EP disclosed
WO-1999005117-A1 HYDANTOIN DERIVATIVES HAVING AN INHIBITORY ACTIVITY FOR FARNESYL TRANSFERASE LG CHEMICAL LTD. (KR) 1999-02-04 WO disclosed