SCHEMBL8945577

SCHEMBL8945577

CCSc1snc(OCOCC#CI)c1C#N

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
MAPT P10636 4/20 0.35
HSD17B10 Q99714 2/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
MEN1 O00255 2/20 0.33
HPGD P15428 2/20 0.33
KMT2A Q03164 2/20 0.33
JAK2 O60674 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
LMNA P02545 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
SCHEMBL8945509 0.79 MAPT (0.37) ALDH1A1MAPTHSD17B10TP53TSHR
SCHEMBL8945597 0.78 ALDH1A1 (0.40) ALDH1A1MAPTHSD17B10TP53TSHR
SCHEMBL9412178 0.75 ALDH1A1 (0.42) ALDH1A1MAPTHSD17B10TP53TSHR
SCHEMBL8945442 0.72
SCHEMBL9412243 0.70 ALDH1A1 (0.43) ALDH1A1MAPTHSD17B10TP53TSHR
SCHEMBL8945796 0.68 ALDH1A1 (0.51) ALDH1A1MAPTHSD17B10TP53TSHR
SCHEMBL8945845 0.67
SCHEMBL9037731 0.67 ALDH1A1 (0.36) ALDH1A1MAPK1
SCHEMBL8945455 0.66
SCHEMBL8945766 0.66 ALDH1A1 (0.50) ALDH1A1MAPTHSD17B10TP53TSHR

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