SCHEMBL4595386

SCHEMBL4595386

N#CCc1sc(Nc2ccccc2)nc1-c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.63
MAPT P10636 8/20 0.63
GAA P10253 7/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
MEN1 O00255 7/20 0.54
KMT2A Q03164 7/20 0.54
LMNA P02545 2/20 0.54
ALOX12 P18054 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
ALDH1A1 P00352 5/20 0.53
TP53 P04637 3/20 0.53
KDM4E B2RXH2 1/20 0.53
POLB P06746 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
NPC1 O15118 3/20 0.50
RAB9A P51151 2/20 0.50
ADORA2B P29275 1/20 0.49
DHODH Q02127 1/20 0.47
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46

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
SCHEMBL12174565 0.85 MAPT (0.47) PTGDR2MAPTGAASMN1; SMN2MEN1
SCHEMBL28250062 0.81 PTGDR2 (0.68) PTGDR2MAPTGAASMN1; SMN2MEN1
SCHEMBL10686112 0.73 MEN1 (0.68) PTGDR2MAPTGAASMN1; SMN2MEN1
SCHEMBL1884723 0.73 PTGDR2 (0.61) PTGDR2MAPTGAASMN1; SMN2MEN1
SCHEMBL25804371 0.72 GAA (0.56) PTGDR2MAPTGAASMN1; SMN2MEN1
SCHEMBL4450568 0.71 MEN1 (0.70) PTGDR2MAPTGAASMN1; SMN2MEN1
SCHEMBL14433252 0.71 MAPT (0.70) PTGDR2MAPTGAASMN1; SMN2MEN1
SCHEMBL14433253 0.70 PTGDR2 (0.65) PTGDR2MAPTGAASMN1; SMN2MEN1
SCHEMBL10358643 0.70 PTGDR2 (0.72) PTGDR2MAPTGAASMN1; SMN2MEN1
SCHEMBL4604631 0.70 TRPV4 (0.53) PTGDR2MAPTGAASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101263130-A 2-aniline-4-aryl substituted thiazole derivatives JANSSEN PHARMACEUTICA NV (BE) 2008-09-10 CN claimed
EP-1926719-A2 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-04 EP claimed
WO-2007031440-A2 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-22 WO claimed
US-9388175-B2 2-aniline-4-aryl substituted thiazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2016-07-12 US disclosed
CN-101263130-B 2-aniline-4-aryl substituted thiazole derivatives JANSSEN PHARMACEUTICA NV 2011-03-09 CN disclosed
CN-101263130-A 2-aniline-4-aryl substituted thiazole derivatives JANSSEN PHARMACEUTICA NV (BE) 2008-09-10 CN disclosed
EP-1926719-A2 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-04 EP disclosed
WO-2007031440-A2 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-22 WO disclosed