SCHEMBL8945509

SCHEMBL8945509

COc1nsc(SCOCC#CI)c1C#N

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
HSD17B10 Q99714 3/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
HPGD P15428 2/20 0.34
PKM P14618 2/20 0.33
JAK2 O60674 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 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
SCHEMBL8945577 0.79 ALDH1A1 (0.38) MAPTHSD17B10TP53TSHRMAPK1
SCHEMBL8945796 0.77 ALDH1A1 (0.51) MAPTHSD17B10TP53TSHRMAPK1
SCHEMBL8945597 0.73 ALDH1A1 (0.40) MAPTHSD17B10TP53TSHRMAPK1
SCHEMBL8996631 0.71 ALDH1A1 (0.44) MAPTHSD17B10TP53TSHRMAPK1
SCHEMBL8945627 0.69
SCHEMBL8945442 0.68
SCHEMBL8945664 0.68 ALDH1A1 (0.36) MAPK1ALDH1A1
SCHEMBL8945639 0.67
SCHEMBL9412247 0.66 RECQL (0.36) MAPTHSD17B10TP53TSHRMAPK1
SCHEMBL15570566 0.64 RECQL (0.41) MAPTTSHRMAPK1ALDH1A1HPGD

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-5578622-A FUNGICIDE OR BACTERICIDE FOR USE IN INDUSTRY, AGRICULTURE AND MEDICINE ASAMURA PATENT OFFICE (JP) 1996-11-26 US disclosed
EP-0697409-A1 Isothiazole derivatives containing (an) iodoalkylnyl group(s), their preparation and their use as fungicide and/or bactericide NIHON NOHYAKU CO., LTD. (JP) 1996-02-21 EP disclosed