SCHEMBL7100099

SCHEMBL7100099

CCc1c([N+](=O)[O-])c(C(N)=O)nn1C1CN(C(c2ccccc2)c2ccccc2)C1.CS(=O)(=O)OC1CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.36
PAX8 Q06710 1/20 0.36
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MLNR O43193 1/20 0.34
NR1I2 O75469 1/20 0.34
ADRB1 P08588 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADRA2C P18825 1/20 0.34
SLC6A2 P23975 1/20 0.34
AGTR1 P30556 1/20 0.34
ADRA1A P35348 1/20 0.34
SLC6A3 Q01959 1/20 0.34
PDE4D Q08499 1/20 0.34
SCN9A Q15858 1/20 0.32
OPRD1 P41143 1/20 0.32
PDE5A O76074 1/20 0.32
MGLL Q99685 1/20 0.31
CCR5 P51681 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL6358740 0.91 RAB9A (0.42) RAB9APAX8MEN1KMT2AMLNR
SCHEMBL6916828 0.76 SMN1; SMN2 (0.35) PDE5A
SCHEMBL6804504 0.74 RAB9A (0.42) RAB9APAX8MEN1KMT2AOPRD1
SCHEMBL3579719 0.73 SMN1; SMN2 (0.38) PDE5A
SCHEMBL6356981 0.72 PDE5A (0.38) PDE5AMAPTALDH1A1
SCHEMBL70441 0.71 CYP2D6 (0.46) MEN1KMT2AADORA3SLC6A2SLC6A3
SCHEMBL13500478 0.69 ALDH1A1 (0.35) PDE5ALMNAMAPTALDH1A1
Maleic Acid SCHEMBL6971291 0.69 ALDH1A1 (0.49) MEN1KMT2ASCN9AOPRD1MGLL
Fumaric Acid SCHEMBL6971299 0.69 ALDH1A1 (0.49) MEN1KMT2ASCN9AOPRD1MGLL
SCHEMBL5514265 0.68 CYP2D6 (0.41) MEN1KMT2AADORA3SLC6A2SLC6A3

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-1368352-A1 CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE INHIBITORS Pfizer Limited (GB) 2003-12-10 EP disclosed
WO-2002074774-A1 CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE INHIBITORS PFIZER LIMITED (GB) 2002-09-26 WO disclosed