SCHEMBL22859631

SCHEMBL22859631

CCn1nc(C)cc1OCc1c(S(C)(=O)=O)ccc(C(=O)C2=C(O)CCCC2=O)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.31
RORC P51449 5/20 0.31

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
SCHEMBL22859699 0.91 RORC (0.34) CRHR1RORC
SCHEMBL22859731 0.90 RORC (0.32) RORC
SCHEMBL29736590 0.90 RORC (0.32) RORC
SCHEMBL22859642 0.89 RORC (0.33) RORC
SCHEMBL22859632 0.86 KDM5A (0.34) RORC
SCHEMBL22859548 0.81 ALDH1A1 (0.36) RORC
SCHEMBL22859556 0.81
SCHEMBL22859704 0.81
SCHEMBL28523331 0.78 RORC (0.33) CRHR1RORC
SCHEMBL23061233 0.78 SMN1; SMN2 (0.36)

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
WO-2021000736-A1 SUBSTITUTED BENZOYL-PYRAZOLE COMPOUND, AND APPLICATION THEREOF IN AGRICULTURE 东莞市东阳光农药研发有限公司 2021-01-07 WO disclosed