SCHEMBL8945796

SCHEMBL8945796

CSc1snc(SCOCC#CI)c1C#N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.51
MAPK1 P28482 2/20 0.51
HTT P42858 2/20 0.51
MAPT P10636 9/20 0.42
HSD17B10 Q99714 3/20 0.42
TSHR P16473 2/20 0.42
TP53 P04637 1/20 0.42
KMT2A Q03164 8/20 0.42
MEN1 O00255 6/20 0.42
HPGD P15428 4/20 0.42
PKM P14618 2/20 0.42
GAA P10253 2/20 0.42
JAK2 O60674 1/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 2/20 0.38
ALPG P10696 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL8945509 0.77 MAPT (0.37) ALDH1A1MAPK1MAPTHSD17B10TSHR
SCHEMBL8945597 0.76 ALDH1A1 (0.40) ALDH1A1MAPK1HTTMAPTHSD17B10
SCHEMBL5638835 0.72 ALDH1A1 (0.59) ALDH1A1MAPK1HTTMAPTHSD17B10
SCHEMBL8945664 0.70 ALDH1A1 (0.36) ALDH1A1MAPK1HTT
SCHEMBL8945577 0.68 ALDH1A1 (0.38) ALDH1A1MAPK1MAPTHSD17B10TSHR
SCHEMBL9412182 0.64 ALDH1A1 (0.51) ALDH1A1MAPK1HTTMAPTHSD17B10
SCHEMBL11553861 0.62 ALDH1A1 (0.60) ALDH1A1MAPK1HTTMAPTHSD17B10
SCHEMBL8996631 0.62 ALDH1A1 (0.44) ALDH1A1MAPK1HTTMAPTHSD17B10
SCHEMBL8996632 0.61 ALDH1A1 (0.42) ALDH1A1MAPK1HTTMAPTHSD17B10
SCHEMBL9412202 0.61 ALDH1A1 (0.46) ALDH1A1MAPK1HTTMAPTHSD17B10

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