SCHEMBL8996631

SCHEMBL8996631

COc1nsc(SC)c1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.44
HTT P42858 3/20 0.44
MAPK1 P28482 2/20 0.44
MAPT P10636 10/20 0.38
HSD17B10 Q99714 4/20 0.38
TSHR P16473 2/20 0.38
TP53 P04637 1/20 0.38
RECQL P46063 1/20 0.35
MEN1 O00255 8/20 0.34
KMT2A Q03164 8/20 0.34
HPGD P15428 6/20 0.34
POLB P06746 3/20 0.33
PKM P14618 2/20 0.33
JAK2 O60674 1/20 0.33
GAA P10253 1/20 0.33
NPC1 O15118 3/20 0.33
KDM4E B2RXH2 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 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
SCHEMBL9412247 0.80 RECQL (0.36) ALDH1A1MAPK1MAPTHSD17B10TSHR
SCHEMBL8996607 0.80 ALDH1A1 (0.40) ALDH1A1HTTMAPK1MAPTHSD17B10
SCHEMBL8996632 0.77 ALDH1A1 (0.42) ALDH1A1HTTMAPK1MAPTHSD17B10
SCHEMBL8996641 0.75 RECQL (0.33) MAPK1MAPTHSD17B10TSHRTP53
SCHEMBL5638835 0.75 ALDH1A1 (0.59) ALDH1A1HTTMAPK1MAPTHSD17B10
SCHEMBL5150632 0.75 RECQL (0.38) ALDH1A1MAPK1MAPTHSD17B10TSHR
SCHEMBL11563951 0.75 RECQL (0.46) ALDH1A1HTTMAPK1MAPTTSHR
SCHEMBL5639428 0.73 ALDH1A1 (0.50) ALDH1A1HTTMAPK1MAPTHSD17B10
SCHEMBL9412202 0.73 ALDH1A1 (0.46) ALDH1A1HTTMAPK1MAPTHSD17B10
SCHEMBL15570566 0.73 RECQL (0.41) ALDH1A1MAPK1MAPTTSHRRECQL

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