SCHEMBL17664702

SCHEMBL17664702

CS(C)(CN=[N+]=[N-])c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PSIP1 O75475 1/20 0.34
▸ PTGS2 P35354 1/20 0.33
▸ KAT2B Q92831 2/20 0.31
▸ POLB P06746 1/20 0.31
▸ HTR6 P50406 1/20 0.30

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
SCHEMBL27742205 0.76 PSIP1 (0.48) PSIP1POLBHTR6
SCHEMBL19561677 0.66 PSIP1 (0.56) PSIP1PTGS2HTR6
SCHEMBL21186465 0.64 PSIP1 (0.42) PSIP1PTGS2POLBHTR6
SCHEMBL21656681 0.64 PSIP1 (0.42) PSIP1PTGS2POLBHTR6
SCHEMBL20388830 0.64 PSIP1 (0.42) PSIP1PTGS2POLBHTR6
SCHEMBL19174484 0.64 PSIP1 (0.42) PSIP1HTR6
SCHEMBL13925011 0.63 KEAP1 (0.59) PSIP1POLB
SCHEMBL13655542 0.63 ALDH1A1 (0.58) —
SCHEMBL19426682 0.63 ALDH1A1 (0.52) —
SCHEMBL10585863 0.63 HTR6 (0.36) PSIP1HTR6

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-2016053017-A1 PROCESS FOR PREPARING ALPHA-SILYLAMINE COMPOUNDS FROM ALPHA-SILYLMETHYL AZIDE COMPOUNDS 포항공과대학교 산학협력단 2016-04-07 — — WO disclosed
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