SCHEMBL7348770

SCHEMBL7348770

CCCOc1ccccc1-c1nc2c(c(C)nn2CCC)c(=O)[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 19/20 1.00
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
GLA P06280 1/20 0.59
CASP1 P29466 1/20 0.59
CASP7 P55210 1/20 0.59
KMT2A Q03164 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
HSD17B10 Q99714 1/20 0.59

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
SCHEMBL7299762 0.89 PDE5A (1.00) PDE5A
SCHEMBL7299809 0.89 PDE5A (1.00) PDE5A
SCHEMBL7308957 0.88 PDE5A (1.00) PDE5A
SCHEMBL6197740 0.87 PDE5A (0.77) PDE5AKDM4EALDH1A1GLACASP1
SCHEMBL6198127 0.87 PDE5A (0.77) PDE5AKDM4EALDH1A1GLACASP1
SCHEMBL6199730 0.86 PDE5A (0.78) PDE5A
SCHEMBL7302334 0.86 PDE5A (0.88) PDE5A
SCHEMBL3842772 0.86 PDE5A (0.75) PDE5A
SCHEMBL6197745 0.84 PDE5A (0.73) PDE5AKDM4EALDH1A1GLACASP1
SCHEMBL7296916 0.84 PDE5A (0.83) PDE5A

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
US-6200980-B1 ADMINISTERING PHENYL PURINONE COMPOUND FOR TREATING PRECANCEROUS LEISONS CELL PATHWAYS, INC. 2001-03-13 US disclosed
WO-1993007149-A1 PYRAZOLOPYRIMIDINONE ANTIANGINAL AGENTS PFIZER LIMITED (GB) 1993-04-15 WO disclosed