SCHEMBL14280004

SCHEMBL14280004

COCCNC(=O)c1ccc(N)cc1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.50
HPGD P15428 7/20 0.49
POLB P06746 1/20 0.49
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPK1 P28482 1/20 0.48
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA3 P07451 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA13 Q8N1Q1 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
ALDH1A1 P00352 1/20 0.45
PKM P14618 1/20 0.44

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
SCHEMBL24916559 0.92 SMN1; SMN2 (0.44) ALOX15HPGDPOLBHTTSMN1; SMN2
SCHEMBL31079860 0.88 ALOX15 (0.50) ALOX15HPGDPOLBHTTMAPK1
SCHEMBL17979932 0.88 ALOX15 (0.50) ALOX15HPGDPOLBHTTMAPK1
SCHEMBL31557879 0.88 HPGD (0.44) ALOX15HPGDPOLBSMN1; SMN2MAPK1
SCHEMBL22123577 0.87 SMN1; SMN2 (0.45) ALOX15HPGDHTTSMN1; SMN2MAPK1
SCHEMBL24939964 0.86 SMN1; SMN2 (0.44) ALOX15HPGDHTTSMN1; SMN2MAPK1
SCHEMBL24870746 0.86 SMN1; SMN2 (0.44) ALOX15HPGDHTTSMN1; SMN2MAPK1
SCHEMBL24870886 0.86 SMN1; SMN2 (0.44) ALOX15HPGDHTTSMN1; SMN2MAPK1
SCHEMBL24916917 0.85 SMN1; SMN2 (0.43) ALOX15HPGDPOLBHTTSMN1; SMN2
SCHEMBL24916632 0.85 SMN1; SMN2 (0.43) ALOX15HPGDHTTSMN1; SMN2MAPK1

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
WO-2008031594-A1 BENZOXAZOLES AND OXAZOLOPYRIDINES BEING USEFUL AS JANUS KINASES INHIBITORS NOVARTIS AG (CH) 2008-03-20 WO disclosed