SCHEMBL23914174

SCHEMBL23914174

COC(=O)c1cc(S)ccc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
PDK2 Q15119 1/20 0.43
PDK4 Q16654 1/20 0.43
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 3/20 0.41
KDM4E B2RXH2 3/20 0.41
ATM Q13315 2/20 0.41
HPGD P15428 2/20 0.41
GLA P06280 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41

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
SCHEMBL669909 0.81 TSHR (0.53) MAPTCA12CA1CA2CA7
SCHEMBL70184 0.80 KDM4E (0.47) MAPTCA12CA1CA2CA7
SCHEMBL30364839 0.80 CYP46A1 (0.56) MAPTCA12CA1CA2CA7
SCHEMBL1170022 0.80 CYP46A1 (0.56) MAPTCA12CA1CA2CA7
SCHEMBL14227807 0.79 MEN1 (0.53) MAPTCA12CA1CA2CA7
SCHEMBL20928958 0.79 CA12 (0.46) MAPTCA12CA1CA2CA7
SCHEMBL29169377 0.79 KDM4E (0.49) MAPTCA12CA1CA2CA7
SCHEMBL20928973 0.79 CA12 (0.46) MAPTCA12CA1CA2CA7
SCHEMBL30291102 0.78 CA12 (0.69) MAPTCA12CA1CA2CA7
SCHEMBL821898 0.78 KDM4E (0.59) MAPTCA12CA1CA2CA7

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3892618-A1 4-PYRIDINYL FORMAMIDE COMPOUND OR DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF Qingdao KingAgroot Chemical Compound Co., Ltd. (CN) 2021-10-13 EP disclosed