SCHEMBL10686264

SCHEMBL10686264

COc1cc(C(=O)O)ccc1-c1nc2nc[nH]c(=O)c2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 1/20 0.45
BRD4 O60885 1/20 0.44
FGFR1 P11362 4/20 0.43
FGFR2 P21802 4/20 0.43
PDE5A O76074 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA7 P43166 1/20 0.42
TPMT P51580 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
SRC P12931 1/20 0.41
TBK1 Q9UHD2 1/20 0.41
HTT P42858 1/20 0.40
SLC2A1 P11166 1/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 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
SCHEMBL10692611 0.90 ENPP1 (0.46) ENPP1BRD4FGFR1FGFR2PDE5A
SCHEMBL10691876 0.84 PDE2A (0.55) ENPP1FGFR1FGFR2PDE5ASRC
SCHEMBL10691270 0.81 FGFR1 (0.44) ENPP1BRD4FGFR1FGFR2PDE5A
SCHEMBL10688935 0.80 FGFR1 (0.43) ENPP1BRD4FGFR1FGFR2PDE5A
SCHEMBL10688379 0.79 FGFR1 (0.45) ENPP1FGFR1FGFR2PDE5ACA12
SCHEMBL10688023 0.79 FGFR1 (0.42) ENPP1BRD4FGFR1FGFR2PDE5A
SCHEMBL10693992 0.78 TNNI3K (0.41) ENPP1FGFR1FGFR2PDE5ASRC
SCHEMBL10685682 0.78 MAPT (0.45) ENPP1FGFR1FGFR2PDE5ASRC
SCHEMBL10688369 0.77 ADORA2B (0.47) ENPP1FGFR1FGFR2CA12CA1
SCHEMBL10742290 0.75 PDE2A (0.69) PDE5APDE2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4769322-A Quantification of endogenous histamine ELI LILLY AND COMPANY (US) 1988-09-06 US disclosed
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