SCHEMBL1699178

SCHEMBL1699178

CNc1c(Cc2ccccc2)ccnc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.42
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
MAPT P10636 4/20 0.40
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
CTSB P07858 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL8566712 0.79 CYP19A1 (0.43) CYP19A1CYP11B1CYP11B2MAPTKMT2A
SCHEMBL7116983 0.77 KMT2A (0.50) CYP19A1CYP11B1CYP11B2MAPTKMT2A
SCHEMBL1699180 0.77 LMNA (0.44) CYP19A1CYP11B1CYP11B2MAPTKMT2A
SCHEMBL28992901 0.72 ALDH1A1 (0.40) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL8568481 0.71 HTT (0.50) CYP19A1CYP11B1CYP11B2MAPTKMT2A
SCHEMBL4954517 0.71 CYP19A1 (0.41) CYP19A1CYP11B1CYP11B2MAPTKMT2A
SCHEMBL4954513 0.70 MEN1 (0.46) CYP19A1CYP11B1CYP11B2MAPTKMT2A
SCHEMBL1735333 0.67 MAPT (0.50) CYP19A1CYP11B1CYP11B2MAPTKMT2A
SCHEMBL8568534 0.67 CYP19A1 (0.40) CYP19A1CYP11B1CYP11B2MAPTNPC1
SCHEMBL31419067 0.65 ALDH1A1 (0.46) MAPTKMT2AMEN1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2585462-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2013-05-01 EP disclosed
WO-2011163355-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-29 WO disclosed