SCHEMBL17174129

SCHEMBL17174129

O=P(O)(O)Oc1ccc(-c2ccc3ccc4ccc(-c5cc(OP(=O)(O)O)cc(-c6ccc7ccc8ccc(-c9ccccc9)nc8c7n6)c5)nc4c3n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 2/20 0.46
▸ PARP1 P09874 2/20 0.41
▸ GPR84 Q9NQS5 1/20 0.40
▸ INPPL1 O15357 3/20 0.39
▸ INPP5A Q14642 2/20 0.39
▸ MCL1 Q07820 1/20 0.36
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ STAT3 P40763 2/20 0.34
▸ PDE5A O76074 1/20 0.34
▸ CA1 P00915 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
SCHEMBL17174143 0.86 SRC (0.43) SRCPARP1GPR84INPPL1INPP5A
SCHEMBL17174136 0.86 PARP1 (0.49) PARP1KDM4ENPC1ALDH1A1NFKB1
SCHEMBL17174128 0.85 PARP1 (0.54) PARP1CYP11B1CYP11B2KDM4ENPC1
SCHEMBL17174134 0.83 SRC (0.45) SRCPARP1GPR84INPPL1INPP5A
SCHEMBL17174117 0.80 MCL1 (0.47) PARP1MCL1CYP11B1CYP11B2MAPK1
SCHEMBL17174119 0.79 NPC1 (0.47) PARP1MCL1CYP11B1CYP11B2MAPK1
SCHEMBL17174092 0.77 PARP1 (0.43) PARP1ALDH1A1RAB9ACA2
SCHEMBL17174208 0.77 EGLN1 (0.44) PARP1KDM4ENPC1RAB9ARELA
SCHEMBL22064858 0.76 SRC (0.67) SRCGPR84INPPL1INPP5AKDM4E
SCHEMBL17178145 0.76 PARP1 (0.41) PARP1MCL1CYP11B1CYP11B2KDM4E

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-9748593-B2 Polymer electrolyte composition, and polymer electrolyte membrane, membrane electrode complex and solid polymer-type fuel cell each produced using same TORAY INDUSTRIES, INC. (JP) 2017-08-29 — — US disclosed
US-20150295262-A1 POLYMER ELECTROLYTE COMPOSITION, AND POLYMER ELECTROLYTE MEMBRANE, MEMBRANE ELECTRODE COMPLEX AND SOLID POLYMER-TYPE FUEL CELL EACH PRODUCED USING SAME TORAY INDUSTRIES, INC. (JP) 2015-10-15 — — US disclosed
Send feedback