SCHEMBL7658759

SCHEMBL7658759

CC(=O)OC(Cc1ccc(C#N)cc1)c1cnc[nH]1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.46
CYP19A1 P11511 7/20 0.44
CPA1 P15085 1/20 0.43
ACACB O00763 3/20 0.42
CPB2 Q96IY4 2/20 0.39
CPB1 P15086 1/20 0.39
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
GPR142 Q7Z601 1/20 0.37
XDH P47989 1/20 0.36

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
SCHEMBL7468244 0.81 HRH3 (0.40) HRH3CYP19A1CPA1ACACB
SCHEMBL7086614 0.80 CPA1 (0.51) HRH3CYP19A1CPA1ACACBCPB2
SCHEMBL7053727 0.79 CPA1 (0.71) HRH3CYP19A1CPA1CPB2CPB1
Hydrochloric Acid SCHEMBL8495732 0.78 CPA1 (0.69) HRH3CYP19A1CPA1CPB2CPB1
SCHEMBL7703567 0.76 HRH3 (0.55) HRH3CYP19A1CPA1CPB2CPB1
SCHEMBL7703563 0.76 HRH3 (0.55) HRH3CYP19A1CPA1
Hydrochloric Acid SCHEMBL8133317 0.76 KMT2A (0.47)
Hydrochloric Acid SCHEMBL7474426 0.75 HRH3 (0.54) HRH3CYP19A1CPA1CYP11B1CYP11B2
SCHEMBL8506342 0.71 CYP19A1 (0.54) HRH3CYP19A1CPA1
SCHEMBL7156162 0.71 CYP19A1 (0.42) HRH3CYP19A1CPA1CPB2CPB1

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