SCHEMBL10690513

SCHEMBL10690513

COc1ncc2nc(-c3ccc(Cl)cc3OC)[nH]c2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 9/20 0.47
ADORA2B P29275 1/20 0.43
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
PDE5A O76074 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTT P42858 1/20 0.38
MAPK1 P28482 1/20 0.37
PIK3CA P42336 1/20 0.37
MAPK8 P45983 1/20 0.37

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
SCHEMBL10690574 0.86 PDE2A (0.51) AMY1APDE5APDE3BPDE3AALDH1A1
SCHEMBL10689035 0.85 ESR1 (0.42) AMY1APDE5APDE3BPDE3AMEN1
SCHEMBL10690462 0.83 AMY1A (0.40) AMY1APDE5APDE3BPDE3AALDH1A1
SCHEMBL11356780 0.82 AMY1A (0.47) AMY1AADORA2BHSP90AA1HSP90AB1PDE5A
SCHEMBL10690518 0.80 AMY1A (0.47) AMY1AADORA2BHSP90AA1HSP90AB1PDE5A
SCHEMBL10610355 0.79 PDE2A (0.40) PDE5APDE3BPDE3ACYP1A2CYP3A4
SCHEMBL10685926 0.78 PDGFRB (0.48) HSP90AA1CYP3A4MAPK1PDE2APDGFRB
SCHEMBL10870043 0.78 MAPT (0.37) AMY1APDE5AALDH1A1
SCHEMBL10686647 0.77 PDE2A (0.42) AMY1AMEN1KMT2AALDH1A1CYP1A2
SCHEMBL10688260 0.77 NR1I2 (0.34) AMY1AMEN1KMT2AALDH1A1CYP1A2

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