SCHEMBL28797802

SCHEMBL28797802

O=C(O)c1cc2cc(Cc3ccc(Cl)cc3C(F)(F)F)n(CCO)c2cc1F

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 7/20 0.44
POLQ O75417 1/20 0.36
P2RX3 P56373 1/20 0.35
GRIK1 P39086 1/20 0.35
PTGES O14684 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.32
PPARG P37231 1/20 0.32
CMA1 P23946 1/20 0.32
GLP1R P43220 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 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
SCHEMBL21925043 0.92 RORC (0.52) RORCPOLQGRIK1MRGPRX4PPARG
SCHEMBL29654248 0.89 RORC (0.46) RORCPOLQP2RX3PTGESSMN1; SMN2
SCHEMBL28797790 0.89 RORC (0.46) RORCPOLQP2RX3PTGESSMN1; SMN2
SCHEMBL28285110 0.84 RORC (0.55) RORCPOLQMRGPRX4PPARGGLP1R
SCHEMBL21929295 0.82 RORC (0.53) RORCPOLQGRIK1PPARGGLP1R
SCHEMBL20635537 0.81 RORC (0.53) RORCPOLQMRGPRX4PPARGMAPT
SCHEMBL28797801 0.80 RORC (0.70) RORC
SCHEMBL28797807 0.78 RORC (0.72) RORC
SCHEMBL28797831 0.77 RORC (0.57) RORCPOLQMRGPRX4PPARG
SCHEMBL29654191 0.77 RORC (0.57) RORCPOLQMRGPRX4PPARG

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