SCHEMBL16675218

SCHEMBL16675218

COc1ccc(-c2nnc(-c3cc(-c4nnc(-c5ccc(OC)cc5)o4)cc(-c4nnc(-c5ccc(OC)cc5)o4)c3)o2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.76
RAB9A P51151 8/20 0.76
KMT2A Q03164 2/20 0.76
ALDH1A1 P00352 9/20 0.73
KDM4E B2RXH2 7/20 0.73
HPGD P15428 7/20 0.73
MAPT P10636 4/20 0.73
HSD17B10 Q99714 3/20 0.73
SMN1; SMN2 Q16637 3/20 0.73
TP53 P04637 2/20 0.73
NFKB1 P19838 1/20 0.73
NFKB2 Q00653 1/20 0.73
RELA Q04206 1/20 0.73
USP2 O75604 1/20 0.71
CYP2C19 P33261 2/20 0.63
POLB P06746 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
GSK3B P49841 2/20 0.60

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
SCHEMBL13004548 0.94 NPC1 (0.85) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL29121418 0.86 RAB9A (1.00) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL17877090 0.85 NPC1 (0.96) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL27477884 0.85 RAB9A (0.96) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL1251992 0.83 NPC1 (0.71) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL27477057 0.83 NPC1 (0.73) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL2360960 0.82 NPC1 (0.73) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL16407501 0.82 NPC1 (0.90) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL16407493 0.82 NPC1 (0.90) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL14169269 0.82 KDM4E (0.76) NPC1RAB9AKMT2AALDH1A1KDM4E

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-20150114257-A1 METHOD OF PREPARING RETARDATION FILM, POLARIZING PLATE, AND LIQUID CRYSTAL DISPLAY Konica Minolta, Inc. (JP) 2015-04-30 US disclosed
US-20150114257-A1 METHOD OF PREPARING RETARDATION FILM, POLARIZING PLATE, AND LIQUID CRYSTAL DISPLAY Konica Minolta, Inc. (JP) 2015-04-30 US disclosed