SCHEMBL18382425

SCHEMBL18382425

c1ccc(-c2ccc3c(-c4ccc(N(c5ccccc5)c5cc6ccccc6s5)cc4)c4ccccc4c(-c4ccc(N(c5ccccc5)c5cc6ccccc6s5)cc4)c3c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F9 P00740 2/20 0.34
HDAC1 Q13547 1/20 0.34
ESR1 P03372 3/20 0.32
ESR2 Q92731 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
APP P05067 2/20 0.32
NQO1 P15559 1/20 0.32
NQO2 P16083 1/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1B1 Q16678 1/20 0.32
PTPN1 P18031 2/20 0.31
KDM1A O60341 1/20 0.31
PIK3CA P42336 1/20 0.31
PI4KA P42356 1/20 0.31
PI4KB Q9UBF8 1/20 0.31
BCL2L1 Q07817 1/20 0.31
ABCB1 P08183 1/20 0.30

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
SCHEMBL18382441 0.92 APP (0.36) ESR1ESR2L3MBTL1APPNQO1
SCHEMBL18382450 0.92 PIK3CA (0.36) HSD17B1HSD17B2KDM1APIK3CAPI4KA
SCHEMBL24368430 0.85 APP (0.41) F9HDAC1HSD17B1HSD17B2APP
SCHEMBL9963815 0.81 ALDH1A1 (0.39) ESR1ESR2L3MBTL1HSD17B1HSD17B2
SCHEMBL10161105 0.81 ALDH1A1 (0.39) ESR1ESR2L3MBTL1HSD17B1HSD17B2
SCHEMBL13158635 0.81 ALDH1A1 (0.39) ESR1ESR2L3MBTL1HSD17B1HSD17B2
SCHEMBL2613768 0.81 ALDH1A1 (0.39) ESR1ESR2L3MBTL1HSD17B1HSD17B2
SCHEMBL9963830 0.81 ALDH1A1 (0.39) ESR1ESR2L3MBTL1HSD17B1HSD17B2
SCHEMBL2613284 0.81 ALDH1A1 (0.39) ESR1ESR2L3MBTL1HSD17B1HSD17B2
SCHEMBL12322635 0.81 ALDH1A1 (0.39) ESR1ESR2L3MBTL1HSD17B1HSD17B2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10483488-B2 Organic light-emitting element TORAY INDUSTRIES, INC. (JP) 2019-11-19 US disclosed
US-20170018733-A1 ORGANIC LIGHT-EMITTING ELEMENT TORAY INDUSTRIES, INC. (JP) 2017-01-19 US disclosed
US-20170018733-A1 ORGANIC LIGHT-EMITTING ELEMENT TORAY INDUSTRIES, INC. (JP) 2017-01-19 US disclosed