SCHEMBL2474007

SCHEMBL2474007

NC(=O)Cc1cc(Oc2ccc([N+](=O)[O-])cc2)ncn1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 1/20 0.44
RAB9A P51151 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 3/20 0.42
HTT P42858 2/20 0.42
MAPT P10636 4/20 0.41
HSPB1 P04792 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
MYOC Q99972 1/20 0.41
KDM4E B2RXH2 2/20 0.40
SRD5A2 P31213 1/20 0.40
GLA P06280 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL2470643 0.81 SCN4A (0.47) SCN4ARAB9AMEN1KMT2AALDH1A1
SCHEMBL1894479 0.77 HTT (0.52) RAB9AMEN1KMT2AALDH1A1LMNA
SCHEMBL1891269 0.76 RAB9A (0.50) RAB9AMEN1KMT2AALDH1A1LMNA
SCHEMBL2473217 0.75 MAPT (0.43) RAB9AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL31564998 0.74 MAPT (0.54) SCN4ARAB9AMEN1KMT2AALDH1A1
SCHEMBL2479691 0.73 KDR (0.49) RAB9AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2762677 0.71 HTT (0.47) RAB9AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL30561407 0.71 CYP1A2 (0.43) RAB9AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL13332032 0.71 MEN1 (0.49) RAB9AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL15542346 0.70 KDR (0.55)

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-2370429-A1 P38 MAP KINASE INHIBITORS Respivert Limited (GB) 2011-10-05 EP disclosed