SCHEMBL17174110

SCHEMBL17174110

Cc1cccc(-c2ccc3ccc4ccc(-c5cc(-c6ccc7ccc8ccc(-c9cccc(P(c%10ccccc%10)c%10ccccc%10)c9)nc8c7n6)cc(P(c6ccccc6)c6ccccc6)c5)nc4c3n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 2/20 0.39
▸ KMO O15229 2/20 0.39
▸ MAPT P10636 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ADORA2A P29274 1/20 0.37
▸ ATR Q13535 1/20 0.37
▸ NPC1 O15118 4/20 0.36
▸ RAB9A P51151 4/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ NFKB1 P19838 2/20 0.36
▸ NFKB2 Q00653 2/20 0.36
▸ RELA Q04206 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ IDO1 P14902 1/20 0.35
▸ METAP2 P50579 1/20 0.35
▸ PARP1 P09874 1/20 0.35

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
SCHEMBL17174125 0.97 KMO (0.41) ADORA1KMOMAPTL3MBTL1KDM4E
SCHEMBL17178119 0.92 PARP1 (0.40) MAPTKDM4ERAB9AALDH1A1HPGD
SCHEMBL17178118 0.89 PARP1 (0.42) MAPTKDM4ERAB9AALDH1A1HPGD
SCHEMBL17174098 0.83 PARP1 (0.40) ADORA1MAPTL3MBTL1KDM4EADORA2A
SCHEMBL17174103 0.82 PARP1 (0.44) ADORA1MAPTL3MBTL1KDM4EADORA2A
SCHEMBL17174115 0.82 CYP3A4 (0.39) ADORA1MAPTL3MBTL1KDM4EADORA2A
SCHEMBL17174104 0.82 PARP1 (0.44) ADORA1MAPTL3MBTL1KDM4EADORA2A
SCHEMBL17174203 0.82 BRD4 (0.43) MAPTKDM4EATRSMN1; SMN2NFKB1
SCHEMBL8482366 0.81 KMO (0.49) KMOMAPTL3MBTL1KDM4ENPC1
SCHEMBL10032328 0.78 KMO (0.40) ADORA1KMOKDM4EADORA2ANPC1

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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