SCHEMBL7482902

SCHEMBL7482902

Cc1cccc(N(c2ccc(-c3ccc(N(c4cccc(C)c4)c4ccc(N(c5ccccc5)c5ccccc5)c5ccccc45)cc3)cc2)c2ccc(N(c3ccccc3)c3ccccc3)c3ccccc23)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.39
HSD17B2 P37059 2/20 0.39
SIGMAR1 Q99720 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 1/20 0.35
JAK2 O60674 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
PAX8 Q06710 1/20 0.35
THRB P10828 1/20 0.35
PKM P14618 1/20 0.35
ACHE P22303 1/20 0.34
EPHX1 P07099 1/20 0.34
HPGD P15428 2/20 0.33
ALOX15 P16050 2/20 0.33

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
SCHEMBL10128586 0.93 ACHE (0.39) SIGMAR1SLC6A2SLC6A4MAPTALDH1A1
SCHEMBL29102712 0.92 ALDH1A1 (0.45) HSD17B1HSD17B2SIGMAR1SLC6A2SLC6A4
SCHEMBL7085931 0.91 RXRA (0.41) HSD17B1HSD17B2SIGMAR1SLC6A2SLC6A4
SCHEMBL7086068 0.91 RXRA (0.41) HSD17B1HSD17B2SIGMAR1SLC6A2SLC6A4
SCHEMBL14552156 0.91 RXRA (0.41) HSD17B1HSD17B2SIGMAR1SLC6A2SLC6A4
SCHEMBL10128581 0.90 ACHE (0.42) HSD17B1HSD17B2SIGMAR1SLC6A2SLC6A4
SCHEMBL13809112 0.89 SIGMAR1 (0.42) HSD17B1HSD17B2SIGMAR1MAPTALDH1A1
SCHEMBL13242040 0.89 SIGMAR1 (0.37) SIGMAR1SLC6A2SLC6A4MAPTALDH1A1
SCHEMBL4110376 0.88 HSD17B1 (0.42) HSD17B1HSD17B2SIGMAR1SLC6A2SLC6A4
SCHEMBL10053548 0.88 SIGMAR1 (0.41) HSD17B1HSD17B2SIGMAR1MAPTPOLB

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-6376106-B1 EFFICIENCY; MULTILAYER STACKS CHISSO CORPORATION (JP) 2002-04-23 US disclosed
EP-0924192-B1 Diaminonaphthalene derivatives and organic electroluminescent device using the same CHISSO CORP (JP) 2002-03-27 EP disclosed
EP-0924192-A1 Diaminonaphthalene derivatives and organic electroluminescent device using the same CHISSO CORPORATION (JP) 1999-06-23 EP disclosed