SCHEMBL17174115

SCHEMBL17174115

c1ccc(P(c2ccccc2)c2ccc(-c3ccc4ccc5ccc(-c6cc(-c7ccc8ccc9ccc(-c%10ccc(P(c%11ccccc%11)c%11ccccc%11)cc%10)nc9c8n7)cc(P(c7ccccc7)c7ccccc7)c6)nc5c4n3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ PARP1 P09874 2/20 0.38
▸ ESR1 P03372 2/20 0.36
▸ ESR2 Q92731 2/20 0.36
▸ MEN1 O00255 6/20 0.34
▸ KMT2A Q03164 6/20 0.34
▸ RAB9A P51151 4/20 0.34
▸ NPC1 O15118 3/20 0.33
▸ AR P10275 2/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ GMNN O75496 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ THPO P40225 1/20 0.33
▸ BLM P54132 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
SCHEMBL17174098 0.98 PARP1 (0.40) CYP3A4TDP1PARP1ESR1ESR2
SCHEMBL17174103 0.90 PARP1 (0.44) CYP3A4TDP1PARP1ESR1ESR2
SCHEMBL17174104 0.90 PARP1 (0.44) CYP3A4TDP1PARP1ESR1ESR2
SCHEMBL17178119 0.89 PARP1 (0.40) CYP3A4TDP1PARP1ESR1ESR2
SCHEMBL17178118 0.85 PARP1 (0.42) CYP3A4TDP1PARP1ESR1ESR2
SCHEMBL17174205 0.85 CCR1 (0.46) CYP3A4TDP1PARP1NPC1ALDH1A1
SCHEMBL17174110 0.82 ADORA1 (0.39) PARP1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL17174203 0.82 BRD4 (0.43) CYP3A4TDP1PARP1SMN1; SMN2KDM4E
SCHEMBL10032410 0.80 MEN1 (0.52) TDP1PARP1MEN1KMT2ARAB9A
SCHEMBL17174125 0.78 KMO (0.41) PARP1KMT2ARAB9ANPC1ALDH1A1

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 4 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-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
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