SCHEMBL8996641

SCHEMBL8996641

COc1nsc(OSC)c1C#N

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.33
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SQOR Q9Y6N5 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
SCHEMBL5150632 0.83 RECQL (0.38) RECQLTP53MAPTTSHRMAPK1
SCHEMBL8996631 0.75 ALDH1A1 (0.44) RECQLTP53MAPTTSHRMAPK1
SCHEMBL9412154 0.75 RECQL (0.33) RECQLSQOR
SCHEMBL11563951 0.72 RECQL (0.46) RECQLMAPTTSHRMAPK1SQOR
SCHEMBL15570566 0.71 RECQL (0.41) RECQLMAPTTSHRMAPK1SQOR
SCHEMBL8945639 0.68
SCHEMBL9412247 0.67 RECQL (0.36) RECQLTP53MAPTTSHRMAPK1
SCHEMBL6833252 0.66 RECQL (0.33) RECQLTP53MAPTTSHRMAPK1
SCHEMBL9637464 0.64 RECQL (0.31) RECQL
SCHEMBL11555748 0.64 ALDH1A1 (0.42) RECQLTP53MAPTTSHRMAPK1

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
US-5484934-A FUNGICIDE, WOOD PRESERVATIVE NIHON NOHYAKU CO., LTD. (JP) 1996-01-16 US disclosed
EP-0604978-A1 Isothiazole derivatives, a process for production thereof and uses thereof NIHON NOHYAKU CO., LTD. (JP) 1994-07-06 EP disclosed