SCHEMBL6776964

SCHEMBL6776964

CCCc1c(NC(=O)c2cc([N+](=O)[O-])cnc2OCC)c(C(N)=O)nn1C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.44
TERT O14746 2/20 0.38
MAPT P10636 4/20 0.37
POLB P06746 2/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.35
CCNA2 P20248 2/20 0.34
CDK2 P24941 2/20 0.34
CCNA1 P78396 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PKM P14618 1/20 0.33
MAPK8 P45983 1/20 0.32
ALDH1A1 P00352 2/20 0.32
AURKA O14965 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL6450443 0.93 PDE5A (0.49) PDE5ATERTMAPTPOLBKMT2A
SCHEMBL6777123 0.86 PDE5A (0.47) PDE5ATERTMAPK8ALDH1A1
SCHEMBL6356953 0.84 TERT (0.57) PDE5ATERTMAPTPOLBKMT2A
SCHEMBL3579254 0.83 PDE5A (0.46) PDE5ATERTMAPTPOLBKMT2A
SCHEMBL6447286 0.83 MEN1 (0.39) PDE5APOLBKMT2AMEN1RAB9A
SCHEMBL6442714 0.78 PDE5A (0.52) PDE5ATERTKMT2AMEN1CCNA2
SCHEMBL6446169 0.78 PDE5A (0.67) PDE5APOLBKMT2AMEN1CDK2
SCHEMBL6444664 0.77 PDE5A (0.74) PDE5AKMT2AALDH1A1KDM4E
SCHEMBL6776102 0.77 PDE5A (0.39) PDE5ATERTMAPK8
SCHEMBL6772078 0.74 MAPT (0.46) MAPTPOLBKMT2ARAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6756373-B1 SUCH AS 5-(2-BUTOXY-5-IODO-3-PYRIDINYL)-3-ETHYL-2-(2-METHOXY-ETHYL)-2,6-DIHYDRO-7H -PYRAZOLO(4,3-D)PYRIMIDIN-7-ONE; CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE INHIBITORS; ERECTILE DYSFUNCTION PFIZER INC. 2004-06-29 US disclosed