SCHEMBL10691788

SCHEMBL10691788

COc1ccc(-c2nc3cnc(OCc4ccccc4)nc3[nH]2)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.46
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
CYP3A4 P08684 5/20 0.46
CYP1A2 P05177 5/20 0.46
CYP2C19 P33261 4/20 0.46
CYP2D6 P10635 3/20 0.46
TSHR P16473 2/20 0.46
ALDH1A1 P00352 3/20 0.43
CYP2C9 P11712 2/20 0.43
MAPT P10636 4/20 0.41
CYP2E1 P05181 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2B6 P20813 1/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 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
SCHEMBL10611564 0.96 PDGFRB (0.48) PDE2APDGFRBPDGFRACYP3A4CYP1A2
SCHEMBL10685926 0.92 PDGFRB (0.48) PDE2APDGFRBPDGFRACYP3A4CYP2C19
SCHEMBL10690574 0.85 PDE2A (0.51) PDE2ACYP3A4CYP1A2CYP2C19CYP2D6
SCHEMBL10690322 0.85 PDGFRB (0.43) PDGFRBPDGFRACYP3A4CYP1A2CYP2C19
SCHEMBL10692316 0.85 PDGFRB (0.43) PDGFRBPDGFRACYP3A4CYP2C19CYP2D6
SCHEMBL10686088 0.84 PDGFRB (0.47) PDE2APDGFRBPDGFRACYP3A4CYP2C19
SCHEMBL10691792 0.83 PDE2A (0.56) PDE2APDGFRBPDGFRACYP3A4CYP1A2
SCHEMBL10686647 0.79 PDE2A (0.42) PDE2ACYP3A4CYP1A2CYP2C19TSHR
SCHEMBL10611572 0.79 PDE2A (0.51) PDE2APDGFRBPDGFRAMAPTKDM4E
SCHEMBL10964222 0.78 CYP1A2 (0.39) PDGFRBPDGFRACYP3A4CYP1A2CYP2C19

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