SCHEMBL7654002

SCHEMBL7654002

O=C(O)CC1C(=O)N(Cc2cncn2Cc2ccc(Br)cc2)C(=O)N1Cc1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.51
FNTA P49354 8/20 0.43
FNTB P49356 8/20 0.43
CYP11B1 P15538 3/20 0.39
CYP11B2 P19099 3/20 0.39
CNR2 P34972 1/20 0.39
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
PGGT1B P53609 2/20 0.36
ROS1 P08922 1/20 0.35
RPS6KB1 P23443 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
SCHEMBL7656235 0.90 FNTA (0.48) HDAC6FNTAFNTBCYP11B1CYP11B2
SCHEMBL7658616 0.85 FNTA (0.46) HDAC6FNTAFNTBCYP11B1CYP11B2
SCHEMBL7654667 0.80 CYP11B1 (0.51) HDAC6FNTAFNTBCYP11B1CYP11B2
SCHEMBL7653501 0.79 FNTA (0.48) HDAC6FNTAFNTBCYP11B1CYP11B2
SCHEMBL7656246 0.78 FNTA (0.48) FNTAFNTBPGGT1B
SCHEMBL7656322 0.77 FNTA (0.44) HDAC6FNTAFNTBCYP11B1CYP11B2
SCHEMBL7658529 0.77 FNTA (0.43) HDAC6FNTAFNTBCYP11B1CYP11B2
SCHEMBL7658522 0.75 FNTA (0.55) HDAC6FNTAFNTBPGGT1B
SCHEMBL7655477 0.73 FNTA (0.56) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL7654486 0.73 CYP11B1 (0.45) HDAC6FNTAFNTBCYP11B1CYP11B2

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