SCHEMBL27965841

SCHEMBL27965841

C(#Cc1ccccn1)c1ccccc1.O=S(=O)(Cl)Cl

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.55
▸ ERN1 O75460 1/20 0.48
▸ GRM5 P41594 3/20 0.47
▸ GRM4 Q14833 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46

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
SCHEMBL1809895 0.90 FFAR1 (0.58) FFAR1GRM5GRM4KCNH2
SCHEMBL30214468 0.90 FFAR1 (0.58) FFAR1GRM5GRM4KCNH2
Hydrochloric Acid SCHEMBL19668206 0.88 FFAR1 (0.57) FFAR1GRM5GRM4KCNH2
SCHEMBL14993421 0.86 FFAR1 (0.52) FFAR1ERN1GRM5
SCHEMBL352291 0.79 GRM5 (0.65) GRM5KCNH2
SCHEMBL31673060 0.79 GRM5 (0.55) FFAR1ERN1GRM5KCNH2
SCHEMBL30047851 0.77 FFAR1 (0.62) FFAR1ERN1GRM5
SCHEMBL3648381 0.77 FFAR1 (0.62) FFAR1ERN1GRM5
SCHEMBL5569770 0.76 GRM5 (0.53) FFAR1ERN1GRM5KCNH2
SCHEMBL7873393 0.76 FFAR1 (0.49) FFAR1ERN1GRM5KCNH2

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-103958476-A N- (4-quinolinylmethyl) sulfonamide derivatives and their use as anthelmintics DU PONT 2014-07-30 — — CN disclosed
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