SCHEMBL6206004

SCHEMBL6206004

O=CNC1=CNC=CC=C1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL18571420 0.71
SCHEMBL27795108 0.71
SCHEMBL29655947 0.67
SCHEMBL4699012 0.67
SCHEMBL17335996 0.64
SCHEMBL27695261 0.62
SCHEMBL20080874 0.62
SCHEMBL28251990 0.62
Formic Acid SCHEMBL4699651 0.59
Water SCHEMBL27522891 0.58

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103732059-A Nuclear hormone receptor modulators ABBOTT LAB 2014-04-16 CN claimed
CN-107674086-A Polycyclic carbamoylpyridone compound and its medicinal usage 吉利德科学公司 2018-02-09 CN disclosed
CN-103732059-A Nuclear hormone receptor modulators ABBOTT LAB 2014-04-16 CN disclosed
EP-1534681-A1 SUBSTITUTED QUINOLINE CCR5 RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-06-01 EP disclosed
WO-2004002960-A1 SUBSTITUTED QUINOLINE CCR5 RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2004-01-08 WO disclosed