SCHEMBL11278098

SCHEMBL11278098

COC(=O)c1sc(Cl)nc1-c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.64
ALDH1A1 P00352 3/20 0.63
GAA P10253 1/20 0.60
HTT P42858 1/20 0.60
NPSR1 Q6W5P4 4/20 0.56
RXFP1 Q9HBX9 1/20 0.55
TRPM8 Q7Z2W7 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.53
DHODH Q02127 3/20 0.50
HSD17B10 Q99714 1/20 0.50
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
RORC P51449 1/20 0.48

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
SCHEMBL11289442 0.88 MAPT (0.52) LMNAALDH1A1GAAHTTNPSR1
SCHEMBL3893108 0.84 ALDH1A1 (0.71) ALDH1A1GAAHTTNPSR1RXFP1
SCHEMBL11279454 0.84 ALDH1A1 (0.59) LMNAALDH1A1GAAHTTNPSR1
SCHEMBL974923 0.83 TRPM8 (0.73) ALDH1A1GAANPSR1TRPM8SMN1; SMN2
SCHEMBL276196 0.83 NTRK1 (0.57) LMNAALDH1A1HTTNPSR1TRPM8
SCHEMBL9750566 0.82 CDC7 (0.51) LMNAALDH1A1GAAHTTTRPM8
SCHEMBL3894571 0.82 ALDH1A1 (0.68) LMNAALDH1A1GAAHTTNPSR1
SCHEMBL11288991 0.82 ALDH1A1 (0.57) LMNAALDH1A1GAAHTTNPSR1
SCHEMBL19669120 0.82 ALDH1A1 (0.72) ALDH1A1GAATRPM8SMN1; SMN2DHODH
SCHEMBL28140144 0.81 GAA (0.50) LMNAALDH1A1GAAHTTNPSR1

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
US-4336389-A 2-Substituted-4-aryl-5-thiazolecarboxylic acids and their derivatives as safening agents MONSANTO COMPANY (US) 1982-06-22 US disclosed