SCHEMBL17178118

SCHEMBL17178118

c1ccc(P(c2ccccc2)c2cccc(-c3ccc4ccc5ccc(-c6cccc(-c7ccc8ccc9ccc(-c%10cccc(P(c%11ccccc%11)c%11ccccc%11)c%10)nc9c8n7)c6)nc5c4n3)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.42
▸ CYP3A4 P08684 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ PIM1 P11309 1/20 0.34
▸ PIM2 Q9P1W9 1/20 0.34
▸ ASIC3 Q9UHC3 1/20 0.34
▸ MAP4K4 O95819 5/20 0.34
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CYP1A1 P04798 1/20 0.33
▸ CYP1B1 Q16678 1/20 0.33

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
SCHEMBL17178119 0.97 PARP1 (0.40) PARP1CYP3A4TDP1MEN1KMT2A
SCHEMBL17174104 0.92 PARP1 (0.44) PARP1CYP3A4TDP1MEN1KMT2A
SCHEMBL17174103 0.92 PARP1 (0.44) PARP1CYP3A4TDP1MEN1KMT2A
SCHEMBL17174125 0.91 KMO (0.41) PARP1KMT2ARAB9AKDM4EALDH1A1
SCHEMBL17174110 0.89 ADORA1 (0.39) PARP1KMT2ARAB9AKDM4EALDH1A1
SCHEMBL17174098 0.87 PARP1 (0.40) PARP1CYP3A4TDP1MEN1KMT2A
SCHEMBL17174203 0.86 BRD4 (0.43) PARP1CYP3A4TDP1PIM1PIM2
SCHEMBL17174115 0.85 CYP3A4 (0.39) PARP1CYP3A4TDP1MEN1KMT2A
SCHEMBL17174189 0.84 MEN1 (0.56) PARP1MEN1KMT2ARAB9APIM1
SCHEMBL29645262 0.84 MEN1 (0.56) PARP1MEN1KMT2ARAB9APIM1

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
EP-2927283-B1 POLYMER ELECTROLYTE COMPOSITION, AND POLYMER ELECTROLYTE MEMBRANE, MEMBRANE ELECTRODE COMPLEX AND SOLID POLYMER-TYPE FUEL CELL EACH PRODUCED USING SAME TORAY INDUSTRIES (JP) 2018-07-18 — — EP disclosed
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
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