SCHEMBL9017427

SCHEMBL9017427

NC(=O)C1(OCc2ccc(N)cc2)C=CC=CC1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.30

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
SCHEMBL1974877 0.75 ALDH1A1 (0.40)
SCHEMBL31487401 0.69
SCHEMBL147245 0.63 KMT2A (0.44)
SCHEMBL6453211 0.61 ALDH1A1 (0.47)
SCHEMBL22445067 0.61 MAPT (0.44) EPHX1
SCHEMBL4706339 0.61 SLC1A1 (0.42)
SCHEMBL2478544 0.61 TSHR (0.36)
SCHEMBL932927 0.60 KMT2A (0.45)
SCHEMBL31304107 0.60
SCHEMBL9695935 0.60 CYP19A1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0749415-A1 BENZAMIDE ANALOGS, USEFUL AS PARP (ADP-RIBOSYLTRANSFERASE, ADPRT) DNA REPAIR ENZYME INHIBITORS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1996-12-27 EP claimed