SCHEMBL15468945

SCHEMBL15468945

Cc1cccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc(N(c7cccc(C)c7)c7cccc(C)c7)cc6)cc5)cc4)cc3)cc2)c2cccc(C)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.45
HSD17B2 P37059 2/20 0.45
ALDH1A1 P00352 4/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
ACHE P22303 2/20 0.42
POLB P06746 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
JAK2 O60674 1/20 0.40
HTT P42858 1/20 0.40
PAX8 Q06710 1/20 0.40

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
SCHEMBL1810943 1.00 HSD17B1 (0.45) HSD17B1HSD17B2ALDH1A1MAPTL3MBTL1
SCHEMBL5840586 1.00 HSD17B1 (0.45) HSD17B1HSD17B2ALDH1A1MAPTL3MBTL1
SCHEMBL12593267 1.00 HSD17B1 (0.45) HSD17B1HSD17B2ALDH1A1MAPTL3MBTL1
SCHEMBL148955 1.00 HSD17B1 (0.45) HSD17B1HSD17B2ALDH1A1MAPTL3MBTL1
SCHEMBL21922635 1.00 HSD17B1 (0.45) HSD17B1HSD17B2ALDH1A1MAPTL3MBTL1
SCHEMBL8581884 1.00 HSD17B1 (0.45) HSD17B1HSD17B2ALDH1A1MAPTL3MBTL1
SCHEMBL10065576 1.00 HSD17B1 (0.45) HSD17B1HSD17B2ALDH1A1MAPTL3MBTL1
SCHEMBL13484089 1.00 HSD17B1 (0.45) HSD17B1HSD17B2ALDH1A1MAPTL3MBTL1
SCHEMBL22356719 1.00 HSD17B1 (0.45) HSD17B1HSD17B2ALDH1A1MAPTL3MBTL1
SCHEMBL142238 1.00 HSD17B1 (0.45) HSD17B1HSD17B2ALDH1A1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140042411-A1 METHOD FOR PURIFYING ORGANIC MATERIAL, MATERIAL FOR ORGANIC ELECTRONICS, PHOTOELECTRIC CONVERSION DEVICE, OPTICAL SENSOR, IMAGING DEVICE, AND ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2014-02-13 US disclosed