SCHEMBL1120322

SCHEMBL1120322

O=C(O)c1nc(C2CCN(C(=S)Cn3nc(C(F)F)cc3C(F)F)CC2)sc1C1CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.34
GAA P10253 5/20 0.33
KMT2A Q03164 2/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
UBE2M P61081 2/20 0.30
DCUN1D1 Q96GG9 2/20 0.30
GFER P55789 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
TP53 P04637 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
SCHEMBL2595659 0.77 ALDH1A1 (0.33) ALDH1A1GAAKMT2AHPGDMEN1
SCHEMBL1120079 0.76 ALDH1A1 (0.34) ALDH1A1GAAKMT2AHPGDMEN1
SCHEMBL19304793 0.75 ALDH1A1 (0.38) ALDH1A1GAAKMT2ASMN1; SMN2MEN1
SCHEMBL14837946 0.71 ALDH1A1 (0.36) ALDH1A1GAAKMT2AHPGDSMN1; SMN2
SCHEMBL1120282 0.71 GAA (0.51) ALDH1A1GAAKMT2AHPGDSMN1; SMN2
SCHEMBL1119900 0.69 ALDH1A1 (0.36) ALDH1A1GAAKMT2AHPGDSMN1; SMN2
SCHEMBL2591277 0.68 ALDH1A1 (0.33) ALDH1A1GAAKMT2AHPGDSMN1; SMN2
SCHEMBL29908189 0.68 DRD4 (0.41) ALDH1A1GAAHPGD
SCHEMBL1120023 0.67 ALDH1A1 (0.34) ALDH1A1GAAKMT2AHPGDSMN1; SMN2
SCHEMBL1119901 0.66 ALDH1A1 (0.35) ALDH1A1GAAKMT2AHPGDSMN1; SMN2

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
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