SCHEMBL8996632

SCHEMBL8996632

C#CCOc1nsc(SC)c1C#N

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
MAPK1 P28482 3/20 0.42
HTT P42858 2/20 0.42
MAPT P10636 4/20 0.41
HSD17B10 Q99714 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HPGD P15428 2/20 0.41
POLB P06746 2/20 0.41
JAK2 O60674 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 2/20 0.33
TP53 P04637 1/20 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
SCHEMBL8945597 0.82 ALDH1A1 (0.40) ALDH1A1MAPK1HTTMAPTHSD17B10
SCHEMBL8945823 0.81 ALDH1A1 (0.38) ALDH1A1MAPTHSD17B10MEN1KMT2A
SCHEMBL8996631 0.77 ALDH1A1 (0.44) ALDH1A1MAPK1HTTMAPTHSD17B10
SCHEMBL8945779 0.74 CDK1 (0.32) ALDH1A1MAPK1MAPTHSD17B10MEN1
SCHEMBL8996607 0.72 ALDH1A1 (0.40) ALDH1A1MAPK1HTTMAPTHSD17B10
SCHEMBL8945608 0.71 MAPT (0.43) ALDH1A1MAPK1HTTMAPTHSD17B10
SCHEMBL9037731 0.71 ALDH1A1 (0.36) ALDH1A1MAPK1HTT
SCHEMBL9412240 0.70 ALDH1A1 (0.35) ALDH1A1MAPK1HTTHSD17B10MEN1
SCHEMBL8945664 0.68 ALDH1A1 (0.36) ALDH1A1MAPK1HTT
SCHEMBL8996684 0.68

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