SCHEMBL3945191

SCHEMBL3945191

O=C(Nc1ccccn1)Oc1[nH]c2ccc([N+](=O)[O-])cc2c1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
MEN1 O00255 7/20 0.53
KMT2A Q03164 7/20 0.53
ALDH1A1 P00352 5/20 0.53
TDP1 Q9NUW8 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPK1 P28482 1/20 0.53
FASN P49327 1/20 0.47
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.44
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CSF1R P07333 1/20 0.43
LMNA P02545 1/20 0.42
STAT1 P42224 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 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
SCHEMBL3948652 0.86 MAPT (0.60) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL3942136 0.84 NPC1 (0.39) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL4927889 0.83 MEN1 (0.69) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL3951989 0.83 MAPT (0.52) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL3944806 0.81 MAPT (0.67) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL3945148 0.79 MAPT (0.56) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL3942382 0.78 MEN1 (0.56) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL3945036 0.77 MAPT (0.53) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL3947479 0.76 MEN1 (0.53) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL3941920 0.76 MAPT (0.52) MAPTMEN1KMT2AALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1802572-B1 INDOL DERIVATIVES AS INHIBITORS OF SOLUBLE ADENYLYL CYCLASE BAYER SCHERING PHARMA AG (DE) 2009-04-22 EP disclosed
EP-1802572-A1 INDOL DERIVATIVES AS INHIBITORS OF SOLUBLE ADENYLYL CYCLASE Bayer Schering Pharma Aktiengesellschaft (DE) 2007-07-04 EP disclosed
WO-2006032541-A1 INDOL DERIVATIVES AS INHIBITORS OF SOLUBLE ADENYLYL CYCLASE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-03-30 WO disclosed