SCHEMBL9809115

SCHEMBL9809115

Cc1[nH][nH]c(=O)c1SC#N

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL16707497 0.65 ALDH1A1 (0.37) MAPT
SCHEMBL16707434 0.63 ALDH1A1 (0.36) MAPT
SCHEMBL8404397 0.59 — —
SCHEMBL7624581 0.59 ALDH1A1 (0.38) MAPTSMN1; SMN2
SCHEMBL16707508 0.56 ALDH1A1 (0.40) MAPTSMN1; SMN2
SCHEMBL3411697 0.56 AR (0.39) MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL11780540 0.56 — —
SCHEMBL16707475 0.55 ALDH1A1 (0.39) MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL16707448 0.55 ALDH1A1 (0.52) MAPTSMN1; SMN2
SCHEMBL1188495 0.54 DAO (0.38) MEN1MAPTKMT2A

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-5063245-A Hormone inhibitors NOVA PHARMACEUTICAL CORPORATION (US) 1991-11-05 — — US disclosed
Send feedback