SCHEMBL17178142

SCHEMBL17178142

O=C(O)c1cccc(-c2ccc3ccc4ccc(-c5cc(C(=O)O)cc(-c6ccc7ccc8ccc(-c9cccc(C(=O)O)c9)nc8c7n6)c5)nc4c3n2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 2/20 0.56
▸ PARP1 P09874 1/20 0.48
▸ RXRA P19793 1/20 0.46
▸ RXRB P28702 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ MAP2K4 P45985 1/20 0.46
▸ MAPKAPK3 Q16644 1/20 0.46
▸ MAPK6 Q16659 1/20 0.46
▸ CD74 P04233 1/20 0.45
▸ MIF P14174 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ ABL1 P00519 1/20 0.44
▸ BCR P11274 1/20 0.44
▸ PRKCA P17252 1/20 0.44
▸ DHODH Q02127 1/20 0.44

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
SCHEMBL17178141 0.97 KMO (0.59) KMOPARP1RXRARXRBMAPK1
SCHEMBL17174083 0.88 CTRC (0.50) KMOPARP1KDM4ENPC1ALDH1A1
SCHEMBL17174086 0.87 CHEK1 (0.55) KMOPARP1KDM4ENPC1ALDH1A1
SCHEMBL17174193 0.87 PDE4A (0.49) KMOPARP1KDM4EALDH1A1HPGD
SCHEMBL17174087 0.86 KMO (0.42) KMOPARP1MAPK1MAP2K4MAPKAPK3
SCHEMBL17174085 0.86 PARP1 (0.54) KMOPARP1KDM4ENPC1ALDH1A1
SCHEMBL17174084 0.85 RARA (0.46) PARP1KDM4ENPC1ALDH1A1RAB9A
SCHEMBL17174063 0.83 ALDH1A1 (0.48) KMOPARP1KDM4EALDH1A1HPGD
SCHEMBL17146628 0.83 ALDH1A1 (0.48) KMOPARP1KDM4EALDH1A1HPGD
SCHEMBL17174082 0.82 KMO (0.44) KMOPARP1RXRARXRBKDM4E

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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