SCHEMBL17174117

SCHEMBL17174117

c1ccc(Oc2ccc(-c3ccc4ccc5ccc(-c6cc(Oc7ccccc7)cc(-c7ccc8ccc9ccc(-c%10ccccc%10)nc9c8n7)c6)nc5c4n3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 4/20 0.47
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ GSTP1 P09211 1/20 0.45
▸ MAPK1 P28482 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ XDH P47989 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CYP11B1 P15538 2/20 0.41
▸ CYP11B2 P19099 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ PARP1 P09874 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40

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
SCHEMBL17174119 0.98 NPC1 (0.47) MCL1NPC1RAB9AGSTP1MAPK1
SCHEMBL17174120 0.92 MCL1 (0.48) MCL1NPC1RAB9AGSTP1MAPK1
SCHEMBL17174130 0.92 MCL1 (0.48) MCL1NPC1RAB9AGSTP1MAPK1
SCHEMBL11962332 0.91 MCL1 (0.47) MCL1NPC1RAB9AGSTP1MAPK1
SCHEMBL17178155 0.91 P2RX3 (0.45) MCL1GSTP1MAPK1TDP1MEN1
SCHEMBL11962279 0.90 RAB9A (0.50) MCL1NPC1RAB9AGSTP1MAPK1
SCHEMBL17178156 0.87 MAP4K4 (0.46) MCL1RAB9AGSTP1MAPK1TDP1
SCHEMBL17146621 0.84 CCR1 (0.46) RAB9AGSTP1TDP1SMN1; SMN2MEN1
SCHEMBL17146619 0.83 TOP1 (0.49) RAB9ATDP1SMN1; SMN2CYP11B1CYP11B2
SCHEMBL17174121 0.83 P2RX3 (0.45) XDHCYP1A2CYP2C9CYP2C19KDM4E

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 4 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
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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