SCHEMBL7692864

SCHEMBL7692864

CC(C)(C)C1=C(C#N)Sc2cc(Cl)ccc2N1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NOX1 Q9Y5S8 3/20 0.39
▸ SNCA P37840 2/20 0.36
▸ BCHE P06276 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL7690172 0.81 NOX1 (0.41) NOX1SNCABCHEACHEMEN1
SCHEMBL7685864 0.81 SNCA (0.59) NOX1SNCAMEN1ALDH1A1MAPT
SCHEMBL7692666 0.77 NOX1 (0.39) NOX1SNCABCHEACHEMEN1
SCHEMBL7689238 0.75 NOX1 (0.40) NOX1SNCABCHEACHEMEN1
SCHEMBL7673182 0.70 NOX1 (0.62) NOX1SNCABCHEACHEMEN1
SCHEMBL30697368 0.70 NOX1 (0.62) NOX1SNCABCHEACHEMEN1
SCHEMBL7688195 0.69 NOX1 (0.49) NOX1BCHEACHEMEN1ALDH1A1
SCHEMBL9671045 0.69 NOX1 (0.51) NOX1SNCABCHEACHEMEN1
Hydrochloric Acid SCHEMBL20495637 0.69 NOX1 (0.60) NOX1SNCABCHEACHEMEN1
Hydrochloric Acid SCHEMBL30448208 0.69 NOX1 (0.60) NOX1SNCABCHEACHEMEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002539202-A — — 2002-11-19 — — JP claimed
EP-1163233-A1 FUSED 1,4-THIAZINE-2-CARBONITRILE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2001-12-19 — — EP claimed
WO-2000055147-A1 FUSED 1,4-THIAZINE-2-CARBONITRILE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-09-21 — — WO claimed
EP-1163233-A1 FUSED 1,4-THIAZINE-2-CARBONITRILE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2001-12-19 — — EP disclosed
WO-2000055147-A1 FUSED 1,4-THIAZINE-2-CARBONITRILE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-09-21 — — WO disclosed
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