SCHEMBL7177149

SCHEMBL7177149

CC(NS(=O)(=O)c1cccc2cccnc12)C(N)=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
GAA P10253 4/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.51
POLB P06746 1/20 0.50
SLC40A1 Q9NP59 1/20 0.50
MMP2 P08253 1/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
TP53 P04637 2/20 0.49
HTT P42858 1/20 0.49
PPARG P37231 1/20 0.49
KDM4E B2RXH2 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48

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
SCHEMBL12132459 0.83 ALDH1A1 (0.58) MAPK1CA1CA2CA9GAA
SCHEMBL7348982 0.81 GAA (0.49) MAPK1CA1CA2CA9GAA
SCHEMBL7348972 0.81 GAA (0.49) MAPK1CA1CA2CA9GAA
SCHEMBL5099014 0.78 NTSR1 (0.58) GAAALDH1A1MAPTPOLBMMP2
SCHEMBL5098994 0.78 NTSR1 (0.58) GAAALDH1A1MAPTPOLBMMP2
SCHEMBL8742426 0.77 CYP1A2 (0.51) MAPK1GAAALDH1A1MAPTPOLB
SCHEMBL8742422 0.77 CYP1A2 (0.51) MAPK1GAAALDH1A1MAPTPOLB
SCHEMBL21037164 0.76 MAPT (0.53) GAAMAPTPOLBMEN1KMT2A
Hydrochloric Acid SCHEMBL7657489 0.76 GAA (0.52) MAPK1CA1CA2CA9GAA
SCHEMBL9811876 0.76 GAA (0.54) MAPK1CA1CA2CA9GAA

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-1333824-A2 TREATMENT OF SEXUAL DYSFUNCTION Warner-Lambert Company LLC (US) 2003-08-13 EP claimed
WO-2002040008-A2 TREATMENT OF SEXUAL DYSFUNCTION WITH NON PEPTIDE BOMBESIN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2002-05-23 WO claimed