SCHEMBL17174132

SCHEMBL17174132

COc1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6ccc7ccc8ccc(-c9ccccc9)nc8c7n6)c5)nc4c3n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.58
▸ RAB9A P51151 5/20 0.58
▸ KDM4E B2RXH2 5/20 0.58
▸ ALDH1A1 P00352 4/20 0.58
▸ NFKB1 P19838 1/20 0.58
▸ NFKB2 Q00653 1/20 0.58
▸ RELA Q04206 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ PARP1 P09874 1/20 0.57
▸ CYP11B1 P15538 1/20 0.54
▸ CYP11B2 P19099 1/20 0.54
▸ ACACA Q13085 1/20 0.52
▸ LMNA P02545 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ ENPP3 O14638 1/20 0.49
▸ ENPP1 P22413 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL2347376 0.87 NPC1 (0.62) NPC1RAB9AKDM4EALDH1A1NFKB1
SCHEMBL17174130 0.86 MCL1 (0.48) NPC1RAB9ASMN1; SMN2PARP1CYP11B1
SCHEMBL17174120 0.86 MCL1 (0.48) NPC1RAB9ASMN1; SMN2PARP1CYP11B1
Hydrochloric Acid SCHEMBL30398025 0.85 NPC1 (0.61) NPC1RAB9AKDM4EALDH1A1NFKB1
SCHEMBL647692 0.85 MEN1 (0.56) RAB9AKDM4EALDH1A1SMN1; SMN2PARP1
SCHEMBL29444828 0.85 MEN1 (0.56) RAB9AKDM4EALDH1A1SMN1; SMN2PARP1
SCHEMBL17174189 0.85 MEN1 (0.56) RAB9AKDM4EALDH1A1SMN1; SMN2PARP1
SCHEMBL29645262 0.85 MEN1 (0.56) RAB9AKDM4EALDH1A1SMN1; SMN2PARP1
SCHEMBL17174128 0.84 PARP1 (0.54) NPC1RAB9AKDM4EALDH1A1NFKB1
SCHEMBL24475262 0.83 CYP1A1 (0.57) NPC1RAB9AKDM4EALDH1A1NFKB1

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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