SCHEMBL4604631

SCHEMBL4604631

c1ccc(Nc2nc(-c3ccccc3)c(CCN3CCOCC3)s2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.53
PTGDR2 Q9Y5Y4 7/20 0.53
MAPT P10636 6/20 0.53
GAA P10253 5/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 5/20 0.53
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
TP53 P04637 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
LMNA P02545 1/20 0.47
ALOX12 P18054 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.46
AR P10275 2/20 0.46
CYP3A4 P08684 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL1885849 0.77 TRPV4 (0.49) TRPV4MAPTALDH1A1MEN1KMT2A
SCHEMBL28250062 0.73 PTGDR2 (0.68) PTGDR2MAPTGAASMN1; SMN2ALDH1A1
SCHEMBL10594677 0.71 PTGS2 (0.64) ALDH1A1MEN1KMT2ALMNACYP3A4
SCHEMBL1881831 0.70 ROCK2 (0.58) MAPTGAASMN1; SMN2ALDH1A1MEN1
SCHEMBL4595386 0.70 PTGDR2 (0.63) PTGDR2MAPTGAASMN1; SMN2ALDH1A1
SCHEMBL14433252 0.69 MAPT (0.70) PTGDR2MAPTGAASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL11714115 0.69 NR4A2 (0.52) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL10358643 0.68 PTGDR2 (0.72) PTGDR2MAPTGAASMN1; SMN2ALDH1A1
SCHEMBL14433253 0.68 PTGDR2 (0.65) PTGDR2MAPTGAASMN1; SMN2ALDH1A1
SCHEMBL13865734 0.68 AR (0.54) SMN1; SMN2ALDH1A1KDM4EARADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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