SCHEMBL7004142

SCHEMBL7004142

COC(=O)c1nn(Cc2ccccn2)c(C(=O)OC)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 4/20 0.46
MAPK1 P28482 3/20 0.46
HSD17B10 Q99714 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 2/20 0.46
TSHR P16473 1/20 0.46
CYP1A2 P05177 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PDE1A P54750 1/20 0.42
PDE1B Q01064 1/20 0.42
PDE1C Q14123 1/20 0.42
ALOX15 P16050 1/20 0.41
SLC16A3 O15427 1/20 0.41
SLC16A1 P53985 1/20 0.41
PDE5A O76074 3/20 0.40
PDE4A P27815 3/20 0.40
PDE4B Q07343 3/20 0.40
PDE4C Q08493 3/20 0.40

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
SCHEMBL7004143 0.94 SMN1; SMN2 (0.44) ALDH1A1KDM4EMAPK1HSD17B10SMN1; SMN2
SCHEMBL7002026 0.83 ALDH1A1 (0.43) ALDH1A1KDM4EMAPK1HSD17B10SMN1; SMN2
SCHEMBL6995580 0.81 ADRA1D (0.42) ALDH1A1KDM4ESMN1; SMN2CYP1A2MEN1
SCHEMBL1215829 0.80 ELANE (0.51) ALDH1A1KDM4EMAPK1HSD17B10SMN1; SMN2
SCHEMBL6993859 0.80 CYP1A2 (0.48) ALDH1A1KDM4EHSD17B10SMN1; SMN2HPGD
SCHEMBL7000021 0.79 KDM4E (0.41) ALDH1A1KDM4EMAPK1HSD17B10SMN1; SMN2
SCHEMBL6996330 0.78 TSHR (0.50) ALDH1A1KDM4EMAPK1HSD17B10SMN1; SMN2
Potassium Ion SCHEMBL7823785 0.78 ALDH1A1 (0.40) ALDH1A1KDM4EMAPK1HSD17B10SMN1; SMN2
SCHEMBL25399382 0.76 L3MBTL1 (0.50) ALDH1A1KDM4EMAPK1HSD17B10SMN1; SMN2
SCHEMBL7002826 0.76 CYP1A2 (0.60) ALDH1A1KDM4EMAPK1HSD17B10SMN1; 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-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