SCHEMBL17174102

SCHEMBL17174102

O=C(Oc1ccccc1)c1cccc(-c2ccc3ccc4ccc(-c5cccc(-c6ccc7ccc8ccc(-c9cccc(-c%10ccccc%10)c9)nc8c7n6)c5)nc4c3n2)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.60
▸ TDP1 Q9NUW8 2/20 0.60
▸ KMO O15229 1/20 0.46
▸ GALR1 P47211 1/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ ALOX5 P09917 1/20 0.45
▸ GABRG2 P18507 1/20 0.44
▸ GABRB3 P28472 1/20 0.44
▸ GABRA5 P31644 1/20 0.44
▸ GABRA3 P34903 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ PARP1 P09874 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ NSD2 O96028 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ PLAU P00749 2/20 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
SCHEMBL17174101 0.97 MAPT (0.57) MAPTTDP1KMOGALR1MEN1
SCHEMBL17146657 0.97 MAPT (0.56) MAPTTDP1KMOGALR1MEN1
SCHEMBL17174100 0.90 MAPT (0.50) MAPTTDP1GALR1MEN1KMT2A
SCHEMBL17174123 0.90 MAPT (0.50) MAPTTDP1GALR1MEN1KMT2A
SCHEMBL17174091 0.86 MAPT (0.46) MAPTTDP1MEN1KMT2AALOX5
SCHEMBL17146659 0.84 MAPT (0.46) MAPTTDP1MEN1KMT2AALOX5
SCHEMBL17174202 0.84 ALDH1A1 (0.56) MAPTTDP1MEN1KMT2AALDH1A1
SCHEMBL17174204 0.81 ALDH1A1 (0.55) MAPTTDP1MEN1KMT2AALOX5
SCHEMBL25850758 0.80 PARP1 (0.49) KMOMEN1KMT2APARP1
SCHEMBL17178141 0.78 KMO (0.59) KMOALDH1A1PARP1MAPK1

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
Send feedback