SCHEMBL10690580

SCHEMBL10690580

COc1ccc(-c2nc3nc(OC)ncc3[nH]2)c(OC)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.64
CYP1A2 P05177 3/20 0.45
KDM4E B2RXH2 2/20 0.45
CYP3A4 P08684 2/20 0.45
PDE5A O76074 4/20 0.44
ALDH1A1 P00352 2/20 0.44
PDE3B Q13370 2/20 0.44
PDE3A Q14432 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
AURKA O14965 3/20 0.43
GAA P10253 2/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
GFER P55789 1/20 0.42
AMY1A P0DUB6 3/20 0.41
CYP1A1 P04798 2/20 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
SCHEMBL10686656 0.90 PDE2A (0.53) PDE2ACYP1A2KDM4ECYP3A4PDE5A
SCHEMBL10610362 0.87 PDE2A (0.50) PDE2ACYP1A2KDM4ECYP3A4PDE5A
SCHEMBL10689043 0.86 PDE2A (0.47) PDE2ACYP1A2KDM4EPDE5AALDH1A1
SCHEMBL10690518 0.86 AMY1A (0.47) PDE2ACYP1A2KDM4EPDE5AALDH1A1
SCHEMBL10685936 0.85 PDE2A (0.51) PDE2AKDM4EPDE5AAURKAMAPK1
SCHEMBL10691792 0.85 PDE2A (0.56) PDE2ACYP1A2KDM4ECYP3A4PDE5A
SCHEMBL10691379 0.84 PDE2A (0.46) PDE2ACYP1A2KDM4EPDE5AALDH1A1
SCHEMBL10690472 0.84 PDE2A (0.43) PDE2ACYP1A2KDM4EPDE5AALDH1A1
Water SCHEMBL10869421 0.84 PDE2A (0.47) PDE2ACYP1A2KDM4EPDE5AALDH1A1
Water SCHEMBL10868986 0.84 PDE2A (0.47) PDE2ACYP1A2KDM4EPDE5AALDH1A1

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-4722929-A Novel 2-phenyl-imidazoles and pharmaceutical compositions containing same DR. KARL THOMAE GMBH (DE) 1988-02-02 US disclosed
EP-0149200-A1 Novel 2-pnenyl-imidazoles, their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1985-07-24 EP disclosed