SCHEMBL8107846

SCHEMBL8107846

COc1cc(CN)ccc1OCCN

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.58
ATM Q13315 1/20 0.58
CSNK2A1 P68400 2/20 0.50
PTGER3 P43115 1/20 0.50
CA2 P00918 1/20 0.50

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
SCHEMBL6943325 0.88 KDM4E (0.51) KDM4EATMCSNK2A1CA2
SCHEMBL4546337 0.88 KDM4E (0.56) KDM4EATMPTGER3CA2
SCHEMBL25376330 0.86 KCNH2 (0.52) KDM4EATMCSNK2A1CA2
SCHEMBL13191524 0.86 CSNK2A1 (0.55) KDM4EATMCSNK2A1CA2
SCHEMBL19409880 0.85 ATM (0.70) KDM4EATMCA2
SCHEMBL29535675 0.85 ATM (0.70) KDM4EATMCA2
SCHEMBL44393 0.85 ATM (0.70) KDM4EATMCA2
SCHEMBL5708146 0.84 CALM1 (0.61) KDM4EATMCSNK2A1CA2
SCHEMBL10537941 0.83 S1PR2 (0.54) KDM4EATMCSNK2A1
Hydrochloric Acid SCHEMBL9726669 0.83 ATM (0.68) KDM4EATMCSNK2A1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0874805-B1 PHENYLACETAMIDE DERIVATIVES KOREA RES INST CHEM TECH (KR) 2000-09-20 EP disclosed
US-5973201-A ANALGESICS; ANTIINFLAMMATORY AGENTS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1999-10-26 US disclosed
EP-0874805-A1 PHENYLACETAMIDE DERIVATIVES Korea Research Institute of Chemical Technology (KR) 1998-11-04 EP disclosed
WO-1997021668-A1 PHENYLACETAMIDE DERIVATIVES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1997-06-19 WO disclosed