SCHEMBL17174125

SCHEMBL17174125

Cc1cccc(-c2ccc3ccc4ccc(-c5cccc(-c6ccc7ccc8ccc(-c9cccc(P(c%10ccccc%10)c%10ccccc%10)c9)nc8c7n6)c5)nc4c3n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ADORA1 P30542 2/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ IDO1 P14902 1/20 0.37
▸ METAP2 P50579 1/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ TP53 P04637 1/20 0.36

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
SCHEMBL17174110 0.97 ADORA1 (0.39) KMOL3MBTL1KDM4EMAPTADORA1
SCHEMBL17178118 0.91 PARP1 (0.42) KDM4EMAPTRAB9AALDH1A1HPGD
SCHEMBL17178119 0.88 PARP1 (0.40) KDM4EMAPTRAB9AALDH1A1HPGD
SCHEMBL17174103 0.84 PARP1 (0.44) L3MBTL1KDM4EMAPTADORA1ADORA2A
SCHEMBL17174104 0.84 PARP1 (0.44) L3MBTL1KDM4EMAPTADORA1ADORA2A
SCHEMBL8482366 0.83 KMO (0.49) KMOL3MBTL1KDM4EMAPTNPC1
SCHEMBL17174098 0.80 PARP1 (0.40) L3MBTL1KDM4EMAPTADORA1ADORA2A
SCHEMBL17174203 0.78 BRD4 (0.43) KDM4EMAPTSMN1; SMN2NFKB1TSHR
SCHEMBL17174115 0.78 CYP3A4 (0.39) L3MBTL1KDM4EMAPTADORA1ADORA2A
SCHEMBL17174124 0.78 P2RX3 (0.44) KMOL3MBTL1KDM4EMAPTNPC1

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
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