SCHEMBL9328930

SCHEMBL9328930

CN/C(=N/Cc1nc(C)cs1)NC#N

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.36
▸ CTSD P07339 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ MAPKAPK2 P49137 2/20 0.33
▸ ADAMTS5 Q9UNA0 1/20 0.33
▸ NAMPT P43490 6/20 0.32
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HRH2 P25021 1/20 0.31
▸ GRM5 P41594 1/20 0.31
▸ HRH4 Q9H3N8 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
SCHEMBL9330227 1.00 HSD17B10 (0.36) HSD17B10CTSDBACE1MAPKAPK2ADAMTS5
SCHEMBL11368398 0.82 HSD17B10 (0.32) HSD17B10CYP3A4CYP2D6MAPTHRH2
SCHEMBL11366186 0.82 BCHE (0.40) HSD17B10CYP3A4CYP2D6MAPTHRH2
SCHEMBL11366182 0.82 BCHE (0.40) HSD17B10CYP3A4CYP2D6MAPTHRH2
SCHEMBL11368315 0.82 HSD17B10 (0.32) HSD17B10CYP3A4CYP2D6MAPTHRH2
SCHEMBL11368335 0.76 HSD17B10 (0.35) HSD17B10HRH4
SCHEMBL9328933 0.75 CYP3A4 (0.42) HSD17B10CYP3A4CYP2D6MAPTHRH2
SCHEMBL11368363 0.70 CYP3A4 (0.43) HSD17B10CYP3A4CYP2D6MAPTHRH2
SCHEMBL11485667 0.69 BCHE (0.41) CYP3A4CYP2D6MAPTHRH2HRH4
SCHEMBL11485664 0.69 BCHE (0.41) CYP3A4CYP2D6MAPTHRH2HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0364844-B1 Insecticidally active cyano compounds BAYER AGROCHEM KK (JP) 1994-03-16 — — EP claimed
EP-0364844-B1 Insecticidally active cyano compounds BAYER AGROCHEM KK (JP) 1994-03-16 — — EP disclosed
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