SCHEMBL13049541

SCHEMBL13049541

Cc1cccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccc(-c5ccc(N(c6ccccc6)c6cccc(C)c6)cc5C)c(C)c4)c4ccc(-c5ccc(N(c6ccccc6)c6cccc(C)c6)cc5C)c(C)c4)cc3C)c(C)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
ACHE P22303 2/20 0.38
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
JAK2 O60674 1/20 0.37
HTT P42858 1/20 0.37
PAX8 Q06710 1/20 0.37
THRB P10828 1/20 0.37
PKM P14618 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
HSD17B1 P14061 1/20 0.36

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
SCHEMBL13410411 1.00 ALDH1A1 (0.39) ALDH1A1CYP3A4CYP2C9CYP2C19L3MBTL1
SCHEMBL17539995 1.00 ALDH1A1 (0.39) ALDH1A1CYP3A4CYP2C9CYP2C19L3MBTL1
SCHEMBL13049550 1.00 ALDH1A1 (0.39) ALDH1A1CYP3A4CYP2C9CYP2C19L3MBTL1
SCHEMBL1702731 1.00 ALDH1A1 (0.39) ALDH1A1CYP3A4CYP2C9CYP2C19L3MBTL1
SCHEMBL12951210 0.95 ALDH1A1 (0.36) ALDH1A1CYP3A4CYP2C9CYP2C19L3MBTL1
SCHEMBL12938559 0.94 ACHE (0.42) ALDH1A1TDP1ACHERAB9ANPC1
SCHEMBL30451157 0.94 ACHE (0.42) ALDH1A1TDP1ACHERAB9ANPC1
SCHEMBL11331009 0.94 ACHE (0.42) ALDH1A1TDP1ACHERAB9ANPC1
SCHEMBL14179894 0.94 HSD17B1 (0.41) ALDH1A1CYP3A4CYP2C9CYP2C19L3MBTL1
SCHEMBL11335607 0.93 ACHE (0.38) ALDH1A1CYP2C19TDP1CYP1A2ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1464691-B1 Organic electroluminescent element, illuminator, and display KONICA MINOLTA HOLDINGS INC (JP) 2013-10-02 EP disclosed
US-7839075-B2 Organic electroluminescent element, illuminator and display KONICA MINOLTA HOLDINGS, INC. (JP) 2010-11-23 US disclosed
US-7839075-B2 Organic electroluminescent element, illuminator and display KONICA MINOLTA HOLDINGS, INC. (JP) 2010-11-23 US disclosed
US-7485376-B2 Organic electroluminescent element, illuminator, and display KONICA MINOLTA HOLDINGS, INC. (JP) 2009-02-03 US disclosed
US-7485376-B2 Organic electroluminescent element, illuminator, and display KONICA MINOLTA HOLDINGS, INC. (JP) 2009-02-03 US disclosed