SCHEMBL1119901

SCHEMBL1119901

O=C(O)Oc1csc(C2CCN(C(=O)Cn3nc(C(F)F)cc3C(F)F)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.35
HPGD P15428 3/20 0.35
GAA P10253 3/20 0.35
POLB P06746 1/20 0.33
BLM P54132 1/20 0.33
HSD17B10 Q99714 1/20 0.33
FAAH O00519 6/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL1119900 0.86 ALDH1A1 (0.36) ALDH1A1HPGDGAAPOLBBLM
SCHEMBL13228438 0.85 ALDH1A1 (0.35) ALDH1A1HPGDGAAPOLBBLM
SCHEMBL29677 0.85 CYP1A2 (0.34) ALDH1A1HPGDGAAPOLBBLM
SCHEMBL15446675 0.84 ALDH1A1 (0.43) ALDH1A1HPGDGAAPOLBBLM
SCHEMBL1119946 0.83 GAA (0.45) ALDH1A1HPGDGAAHSD17B10FAAH
SCHEMBL30100 0.82 CYP1A2 (0.36) ALDH1A1HPGDGAAPOLBBLM
SCHEMBL697636 0.82 CYP1A2 (0.36) ALDH1A1HPGDGAAPOLBBLM
SCHEMBL30101 0.82 CYP1A2 (0.36) ALDH1A1HPGDGAAPOLBBLM
SCHEMBL2591277 0.82 ALDH1A1 (0.33) ALDH1A1HPGDGAAPOLBBLM
SCHEMBL14837542 0.82 HTR1A (0.38) ALDH1A1HPGDGAAPOLBBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2280965-B1 THIAZOL-4-CARBOXYLIC ACID ESTERS AND THIOESTERS AS PLANT PROTECTION AGENTS BAYER CROPSCIENCE AG (DE) 2012-08-29 EP disclosed
EP-2280965-A1 THIAZOL-4-CARBOXYLIC ACID ESTERS AND THIOESTERS AS PLANT PROTECTION AGENTS BAYER CROPSCIENCE AG (DE) 2011-02-09 EP disclosed
WO-2009132785-A1 THIAZOL-4-CARBOXYLIC ACID ESTERS AND THIOESTERS AS PLANT PROTECTION AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT 2009-11-05 WO disclosed