SCHEMBL17174120

SCHEMBL17174120

c1ccc(Oc2ccc(-c3ccc4ccc5ccc(-c6cccc(-c7ccc8ccc9ccc(-c%10ccccc%10)nc9c8n7)c6)nc5c4n3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 5/20 0.48
▸ RAB9A P51151 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ CYP11B1 P15538 2/20 0.45
▸ CYP11B2 P19099 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ XDH P47989 1/20 0.44
▸ PARP1 P09874 2/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ GLA P06280 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ GSTP1 P09211 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ CYP1A1 P04798 1/20 0.41

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
SCHEMBL17174130 1.00 MCL1 (0.48) MCL1RAB9ANPC1CYP11B1CYP11B2
SCHEMBL11962332 0.95 MCL1 (0.47) MCL1RAB9ANPC1CYP11B1CYP11B2
SCHEMBL17174117 0.92 MCL1 (0.47) MCL1RAB9ANPC1CYP11B1CYP11B2
SCHEMBL17178156 0.92 MAP4K4 (0.46) MCL1RAB9ACYP11B1CYP11B2MAPK1
SCHEMBL11962279 0.92 RAB9A (0.50) MCL1RAB9ANPC1CYP11B1CYP11B2
SCHEMBL17174119 0.90 NPC1 (0.47) MCL1RAB9ANPC1CYP11B1CYP11B2
SCHEMBL17178155 0.89 P2RX3 (0.45) MCL1CYP11B1CYP11B2MAPK1TDP1
SCHEMBL29645262 0.86 MEN1 (0.56) RAB9APARP1MEN1KMT2ASMN1; SMN2
SCHEMBL29444828 0.86 MEN1 (0.56) RAB9APARP1MEN1KMT2ASMN1; SMN2
SCHEMBL17174189 0.86 MEN1 (0.56) RAB9APARP1MEN1KMT2ASMN1; SMN2

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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