SCHEMBL7002826

SCHEMBL7002826

COC(=O)c1nn(Cc2ccccc2)c(C(N)=O)c1N

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPK8 P45983 1/20 0.42
POLB P06746 1/20 0.41
GAA P10253 2/20 0.41
PKM P14618 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL7000260 0.83 SMN1; SMN2 (0.52) CYP1A2SMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL6993863 0.81 CYP1A2 (0.49) CYP1A2SMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL6993859 0.81 CYP1A2 (0.48) CYP1A2SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL6999211 0.80 CYP1A2 (0.48) CYP1A2SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL6996336 0.80 TSHR (0.48) CYP1A2SMN1; SMN2KMT2AMAPK1ALDH1A1
SCHEMBL25399382 0.80 L3MBTL1 (0.50) CYP1A2SMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL6999206 0.80 CYP1A2 (0.47) CYP1A2SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL6996330 0.79 TSHR (0.50) CYP1A2SMN1; SMN2KMT2AMAPK1ALDH1A1
SCHEMBL6995149 0.76 SMN1; SMN2 (0.52) CYP1A2SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL7004142 0.76 ALDH1A1 (0.46) CYP1A2SMN1; SMN2MEN1KMT2AMAPK1

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-1123296-B1 PYRAZOLOPYRIMIDINONE cGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER LTD (GB) 2003-09-17 EP disclosed
US-6333330-B1 Pyrazolopyrimidinone CGMP PDE5 inhibitors for the treatment of sexual dysfunction PFIZER INC. 2001-12-25 US disclosed