SCHEMBL17174142

SCHEMBL17174142

Brc1ccc(-c2ccc3ccc4ccc(-c5cc(Br)cc(-c6ccc7ccc8ccc(-c9ccc(Br)cc9)nc8c7n6)c5)nc4c3n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 3/20 0.42
RXFP1 Q9HBX9 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
KDM4E B2RXH2 2/20 0.42
TLR9 Q9NR96 1/20 0.42
NPC1 O15118 3/20 0.38
EPRS1 P07814 2/20 0.38
MCL1 Q07820 1/20 0.38
AGTR1 P30556 1/20 0.38
ALDH1A1 P00352 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
METAP2 P50579 1/20 0.36
ERBB2 P04626 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL17174140 0.93 AGTR1 (0.47) RAB9ASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL30080785 0.90 RXFP1 (0.46) RAB9ASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL17899359 0.90 RXFP1 (0.46) RAB9ASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL17174150 0.87 AGTR1 (0.44) RAB9ASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL17174161 0.84 AGTR1 (0.49) RAB9ASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL29527488 0.82 ALDH1A1 (0.54) RAB9ASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL17899360 0.82 ALDH1A1 (0.54) RAB9ASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL17174166 0.81 RAB9A (0.47) RAB9ASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL21849537 0.81 ALDH1A1 (0.48) RAB9ASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL21849527 0.81 ALDH1A1 (0.58) RAB9ASMN1; SMN2MEN1KMT2AMAPT

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