SCHEMBL17174103

SCHEMBL17174103

c1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6ccc7ccc8ccc(-c9ccc(P(c%10ccccc%10)c%10ccccc%10)cc9)nc8c7n6)c5)nc4c3n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.44
▸ MEN1 O00255 6/20 0.42
▸ KMT2A Q03164 6/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ CYP3A4 P08684 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CYP1A1 P04798 1/20 0.38
▸ CYP1B1 Q16678 1/20 0.38
▸ ASIC3 Q9UHC3 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ HPGD P15428 4/20 0.36
▸ MAPT P10636 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ GLA P06280 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ PIM2 Q9P1W9 1/20 0.36
▸ ESR1 P03372 2/20 0.36
▸ ESR2 Q92731 2/20 0.36
▸ ADORA2A P29274 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
SCHEMBL17174104 1.00 PARP1 (0.44) PARP1MEN1KMT2ARAB9ACYP3A4
SCHEMBL17174098 0.92 PARP1 (0.40) PARP1MEN1KMT2ARAB9ACYP3A4
SCHEMBL17178118 0.92 PARP1 (0.42) PARP1MEN1KMT2ARAB9ACYP3A4
SCHEMBL17174115 0.90 CYP3A4 (0.39) PARP1MEN1KMT2ARAB9ACYP3A4
SCHEMBL17178119 0.89 PARP1 (0.40) PARP1MEN1KMT2ARAB9ACYP3A4
SCHEMBL17174189 0.86 MEN1 (0.56) PARP1MEN1KMT2ARAB9ACYP1A1
SCHEMBL29444828 0.86 MEN1 (0.56) PARP1MEN1KMT2ARAB9ACYP1A1
SCHEMBL647692 0.86 MEN1 (0.56) PARP1MEN1KMT2ARAB9ACYP1A1
SCHEMBL29645262 0.86 MEN1 (0.56) PARP1MEN1KMT2ARAB9ACYP1A1
SCHEMBL21103662 0.84 MEN1 (0.50) PARP1MEN1KMT2ARAB9ACYP1A1

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-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
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