SCHEMBL10691379

SCHEMBL10691379

COc1ncc2[nH]c(-c3ccc(SC)cc3OC)nc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.46
PDE5A O76074 6/20 0.42
PDE3B Q13370 2/20 0.42
PDE3A Q14432 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
AURKA O14965 1/20 0.41
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
HSP90AA1 P07900 1/20 0.35
PKM P14618 1/20 0.35
TEK Q02763 2/20 0.35
AMY1A P0DUB6 5/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL10762663 0.87 PDE2A (0.45) PDE2APDE5APDE3BPDE3AKMT2A
SCHEMBL10692089 0.86 PDE5A (0.43) PDE2APDE5APDE3BPDE3AKMT2A
SCHEMBL10690580 0.84 PDE2A (0.64) PDE2APDE5APDE3BPDE3AKMT2A
SCHEMBL11233387 0.83 PDE2A (0.48) PDE2APDE5APDE3BPDE3AKMT2A
SCHEMBL10689043 0.83 PDE2A (0.47) PDE2APDE5APDE3BPDE3AKMT2A
SCHEMBL10690518 0.83 AMY1A (0.47) PDE2APDE5APDE3BPDE3AKMT2A
SCHEMBL10690472 0.81 PDE2A (0.43) PDE2APDE5APDE3BPDE3AKMT2A
SCHEMBL11774181 0.80 PDE2A (0.72) PDE2APDE5APDE3BPDE3AKMT2A
Hydrochloric Acid SCHEMBL11768135 0.79 PDE2A (0.70) PDE2APDE5APDE3BPDE3AKMT2A
Water SCHEMBL10869421 0.78 PDE2A (0.47) PDE2APDE5APDE3BPDE3AKMT2A

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