SCHEMBL29654191

SCHEMBL29654191

COC(=O)c1ccc2c(c1)cc(Cc1ccc(Cl)cc1C(F)(F)F)n2CCO

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RORC P51449 7/20 0.57
MRGPRX4 Q96LA9 2/20 0.43
KIF11 P52732 3/20 0.39
NOTUM Q6P988 1/20 0.38
PPARG P37231 1/20 0.38
PKM P14618 2/20 0.36
ALDH1A1 P00352 1/20 0.36
EPHX2 P34913 1/20 0.35
POLQ O75417 1/20 0.35

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
SCHEMBL28797831 1.00 RORC (0.57) RORCMRGPRX4KIF11NOTUMPPARG
SCHEMBL28895592 0.93 RORC (0.55) RORCMRGPRX4KIF11NOTUMPPARG
SCHEMBL30076077 0.93 RORC (0.55) RORCMRGPRX4KIF11NOTUMPPARG
SCHEMBL29465606 0.93 RORC (0.65) RORCMRGPRX4KIF11NOTUMPPARG
SCHEMBL19360544 0.93 RORC (0.65) RORCMRGPRX4KIF11NOTUMPPARG
SCHEMBL30076074 0.91 RORC (0.57) RORCMRGPRX4KIF11NOTUMPPARG
SCHEMBL28895708 0.91 RORC (0.57) RORCMRGPRX4KIF11NOTUMPPARG
SCHEMBL29654060 0.90 RORC (0.54) RORCMRGPRX4KIF11NOTUMPPARG
SCHEMBL28285094 0.90 RORC (0.54) RORCMRGPRX4KIF11NOTUMPPARG
SCHEMBL28895701 0.89 RORC (0.51) RORCMRGPRX4KIF11NOTUMPPARG

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
CN-109485595-B Hydrophilic group substituted indole formamide derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2022-05-27 CN disclosed