SCHEMBL17174121

SCHEMBL17174121

Cc1cccc(-c2ccc3ccc4ccc(-c5cc(Oc6ccccc6)cc(-c6ccc7ccc8ccc(-c9cccc(Oc%10ccccc%10)c9)nc8c7n6)c5)nc4c3n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 1/20 0.45
▸ SDHB P21912 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ MAP4K4 O95819 2/20 0.40
▸ KMO O15229 1/20 0.39
▸ DHODH Q02127 2/20 0.39
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ XDH P47989 1/20 0.37
▸ SLC22A12 Q96S37 1/20 0.37
▸ TNK2 Q07912 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ ATR Q13535 1/20 0.37

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
SCHEMBL17174124 0.97 P2RX3 (0.44) P2RX3SDHBALDH1A1CYP1A2CYP2C9
SCHEMBL17178155 0.92 P2RX3 (0.45) P2RX3SDHBALDH1A1MAP4K4DHODH
SCHEMBL17178156 0.89 MAP4K4 (0.46) P2RX3SDHBMAP4K4DHODH
SCHEMBL11962332 0.83 MCL1 (0.47) P2RX3SDHBMAP4K4DHODHXDH
SCHEMBL17174117 0.83 MCL1 (0.47) P2RX3ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL17174120 0.82 MCL1 (0.48) CYP1A2CYP2C9CYP2C19XDH
SCHEMBL17174119 0.82 NPC1 (0.47) ALDH1A1DHODHMAPTKDM4EXDH
SCHEMBL17174130 0.82 MCL1 (0.48) CYP1A2CYP2C9CYP2C19XDH
SCHEMBL17146619 0.82 TOP1 (0.49) P2RX3ALDH1A1MAP4K4MAPTKDM4E
SCHEMBL8482366 0.81 KMO (0.49) KMOMAPTKDM4EL3MBTL1XDH

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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