SCHEMBL21698413

SCHEMBL21698413

CCSc1c(C(=O)CC)nc2ccccn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
GAA P10253 3/20 0.47
HTT P42858 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
PTGS1 P23219 3/20 0.44
PTGS2 P35354 3/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPK1 P28482 2/20 0.43
MAPT P10636 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
HSD17B10 Q99714 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
RAB9A P51151 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
SCHEMBL18131814 0.87 PTGS1 (0.56) ALDH1A1GAAHTTSMN1; SMN2PTGS1
SCHEMBL24242314 0.83 KDM4E (0.41) ALDH1A1GAAHTTSMN1; SMN2PTGS1
SCHEMBL18131802 0.83 PTGS1 (0.61) ALDH1A1GAAHTTSMN1; SMN2PTGS1
SCHEMBL20100079 0.80 ALDH1A1 (0.67) ALDH1A1GAAHTTSMN1; SMN2PTGS1
SCHEMBL24611917 0.78 PTGS1 (0.68) ALDH1A1GAAHTTSMN1; SMN2PTGS1
SCHEMBL20229616 0.76 ALDH1A1 (0.51) ALDH1A1GAAHTTSMN1; SMN2PTGS1
SCHEMBL18131817 0.76 MAPK1 (0.44) ALDH1A1GAAHTTSMN1; SMN2PTGS1
SCHEMBL22519128 0.75 KDM4E (0.46) ALDH1A1GAAHTTSMN1; SMN2PTGS1
SCHEMBL20100107 0.75 KDM4E (0.52) ALDH1A1GAAHTTSMN1; SMN2KDM4E
SCHEMBL19798102 0.73 ALDH1A1 (0.48) ALDH1A1GAASMN1; SMN2PTGS1PTGS2

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-3280716-B1 IMIDAZO[1,2-A]PYRIDIN-2-YL DERIVATIVES AS PESTICIDES AND INTERMEDIATES THEREOF BAYER CROPSCIENCE AG (DE) 2020-02-12 EP disclosed