SCHEMBL7430980

SCHEMBL7430980

CCCOc1ccccc1-c1nc2c(C)n[nH]c2c(=O)n1CC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 17/20 0.45
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
KMT2A Q03164 2/20 0.44
USP2 O75604 2/20 0.44
PDE1A P54750 2/20 0.44
PDE1B Q01064 2/20 0.44
PDE1C Q14123 2/20 0.44
MEN1 O00255 1/20 0.44
PDE2A O00408 1/20 0.44
PDE6D O43924 1/20 0.44
PDE9A O76083 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
PDE6A P16499 1/20 0.44
PDE6G P18545 1/20 0.44
PDE4A P27815 1/20 0.44

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
SCHEMBL6934359 0.80 PDE5A (0.48) PDE5A
SCHEMBL7447937 0.77 PDE5A (0.47) PDE5APDE1APDE2APDE9ALMNA
SCHEMBL7446947 0.77 ALDH1A1 (0.46) PDE5AALDH1A1KDM4EKMT2AUSP2
SCHEMBL6332419 0.68 PDE5A (0.62) PDE5AALDH1A1KDM4EKMT2APDE1A
SCHEMBL5233011 0.67 CNR1 (0.40) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL6198487 0.67 PDE5A (0.65) PDE5AALDH1A1KDM4EKMT2AUSP2
SCHEMBL6332612 0.66 PDE5A (0.61) PDE5AALDH1A1KDM4EKMT2AUSP2
SCHEMBL5248537 0.65 GUSB (0.43) PDE5AALDH1A1KDM4EKMT2APDE1A
SCHEMBL6202064 0.65 PDE5A (0.63) PDE5AALDH1A1KDM4EKMT2AUSP2
SCHEMBL6330442 0.65 PDE5A (0.74) PDE5AALDH1A1KDM4EKMT2AUSP2

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
WO-1993006104-A1 PYRAZOLOPYRIMIDINONE ANTIANGINAL AGENTS PFIZER LIMITED (GB) 1993-04-01 WO disclosed