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Sugi Predict / Compounds / SCHEMBL21786458

SCHEMBL21786458

SCHEMBL21786458

CN/N=C(/C)c1cccc(-c2c(OCc3ccc(Cl)cc3)ccc(C3=C=CNC(C(F)(F)F)=C3)c2O)c1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 9/20 0.34
▸ MRGPRX4 Q96LA9 5/20 0.33
▸ CCR5 P51681 2/20 0.33
▸ CYP2C9 P11712 2/20 0.32
▸ KCNA3 P22001 1/20 0.31
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ PPARA Q07869 1/20 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
SCHEMBL21786622 0.86 MAOB (0.34) PTGER1MRGPRX4CCR5CYP2C9KCNA3
SCHEMBL22791090 0.81 MRGPRX4 (0.36) PTGER1MRGPRX4CCR5CYP2C9KCNA3
SCHEMBL22790980 0.80 PTGER1 (0.35) PTGER1MRGPRX4CCR5CYP2C9KCNA3
SCHEMBL21786459 0.79 STIM1 (0.35) PTGER1MRGPRX4CCR5CYP2C9
SCHEMBL21786619 0.72 MAPT (0.36) MRGPRX4CCR5KCNA3
SCHEMBL21786413 0.71 MAPT (0.36) PTGER1MRGPRX4CCR5KCNA3
SCHEMBL22790984 0.70 STIM1 (0.40) MRGPRX4CCR5CYP2C9KCNA3
SCHEMBL19319821 0.70 MAOB (0.38) CYP2C9MAOAMAOB
SCHEMBL19319830 0.69 ALOX5AP (0.38) CYP2C9MAOAMAOB
SCHEMBL22791089 0.65 MRGPRX4 (0.43) PTGER1MRGPRX4CYP2C9

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-2020046382-A1 SUBSTITUTED HETEROCYCLES AS C-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-03-05 — — WO disclosed