SCHEMBL8977319

SCHEMBL8977319

C=CC1(N(S(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)CCC(=O)CC1c1ccc(Cl)nc1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ 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
SCHEMBL8977389 0.72 CHRNB2 (0.35) —
SCHEMBL9049929 0.70 MAPT (0.38) SMN1; SMN2MAPT
SCHEMBL8977326 0.70 MAPT (0.38) SMN1; SMN2MAPT
SCHEMBL9050784 0.63 KDM1A (0.38) SMN1; SMN2MAPT
SCHEMBL8977393 0.63 KDM1A (0.38) SMN1; SMN2MAPT
SCHEMBL9051305 0.62 CHRNB2 (0.32) —
SCHEMBL29364733 0.59 SMN1; SMN2 (0.45) SMN1; SMN2MAPT
SCHEMBL30530026 0.59 CHRNB2 (0.45) —
SCHEMBL21384638 0.59 ALDH1A1 (0.39) SMN1; SMN2MAPT
SCHEMBL8514392 0.58 CHRNB2 (0.43) —

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
US-5545741-A Process for the preparation of epibatidine EGIS GYOGYSZERGYAR RT. (HU) 1996-08-13 — — US disclosed
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