SCHEMBL3945148

SCHEMBL3945148

O=C(NC1CC1)Oc1[nH]c2ccc([N+](=O)[O-])cc2c1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
FASN P49327 1/20 0.50
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CSF1R P07333 1/20 0.43
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
HPGD P15428 1/20 0.41
LHCGR P22888 1/20 0.41
CTSV O60911 1/20 0.40
CTSL P07711 1/20 0.40
PARP1 P09874 1/20 0.40
CDK5 Q00535 2/20 0.40
CDK5R1 Q15078 2/20 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
SCHEMBL3945036 0.95 MAPT (0.53) MAPTMEN1KMT2AFASNALDH1A1
SCHEMBL3948652 0.84 MAPT (0.60) MAPTMEN1KMT2AFASNALDH1A1
SCHEMBL3944806 0.84 MAPT (0.67) MAPTMEN1KMT2AFASNALDH1A1
SCHEMBL3943641 0.83 LHCGR (0.44) MAPTALDH1A1KDM4ELHCGRGSK3B
SCHEMBL4922676 0.82 MEN1 (0.72) MAPTMEN1KMT2AFASNALDH1A1
SCHEMBL3942382 0.81 MEN1 (0.56) MAPTMEN1KMT2AFASNALDH1A1
SCHEMBL3941920 0.80 MAPT (0.52) MAPTMEN1KMT2AFASNALDH1A1
SCHEMBL3945191 0.79 MAPT (0.53) MAPTMEN1KMT2AFASNALDH1A1
SCHEMBL3947479 0.79 MEN1 (0.53) MAPTMEN1KMT2AFASNALDH1A1
SCHEMBL3951020 0.78 FAAH (0.50) ALDH1A1LHCGR

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