SCHEMBL17174152

SCHEMBL17174152

Brc1cccc(-c2ccc3ccc4ccc(-c5cccc(-c6ccc7ccc8ccc(-c9cccc(Br)c9)nc8c7n6)c5)nc4c3n2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 3/20 0.50
MAPT P10636 2/20 0.50
HK1 P19367 1/20 0.50
HKDC1 Q2TB90 1/20 0.50
IDO1 P14902 2/20 0.47
METAP2 P50579 1/20 0.47
AURKA O14965 1/20 0.44
DCUN1D1 Q96GG9 2/20 0.42
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
MPI P34949 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 3/20 0.42
HCRTR1 O43613 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42

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
SCHEMBL17174166 0.96 RAB9A (0.47) RAB9AALDH1A1HPGDMAPTHK1
SCHEMBL20208192 0.93 GABRA1 (0.50) RAB9AALDH1A1HPGDMAPTHK1
SCHEMBL30923427 0.93 GABRA1 (0.50) RAB9AALDH1A1HPGDMAPTHK1
SCHEMBL27066721 0.88 ALDH1A1 (0.50) RAB9AALDH1A1HPGDMAPTHK1
SCHEMBL17174150 0.87 AGTR1 (0.44) RAB9AALDH1A1HPGDMAPTHK1
SCHEMBL15112721 0.87 HTT (0.50) RAB9AALDH1A1HPGDMAPTHK1
SCHEMBL26624946 0.85 PARP1 (0.39) RAB9AALDH1A1HPGDMAPTHK1
SCHEMBL30619661 0.85 PARP1 (0.39) RAB9AALDH1A1HPGDMAPTHK1
SCHEMBL17174161 0.84 AGTR1 (0.49) RAB9AALDH1A1MAPTGAANPC1
SCHEMBL17174213 0.82 CCR1 (0.48) MAPTMETAP2ALOX15TSHRSMN1; 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