SCHEMBL14264451

SCHEMBL14264451

COc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(C)cc3O)n2)c(O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.55
KMT2A Q03164 7/20 0.50
MEN1 O00255 6/20 0.50
RAB9A P51151 4/20 0.50
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
PTPN1 P18031 1/20 0.50
NCOA1 Q15788 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
TP53 P04637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CASP3 P42574 1/20 0.46

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
SCHEMBL15908134 0.97 NPC1 (0.52) NPC1KMT2AMEN1RAB9AMAPT
SCHEMBL39669 0.93 NPC1 (0.62) NPC1KMT2AMEN1RAB9AMAPT
SCHEMBL29353657 0.93 NPC1 (0.62) NPC1KMT2AMEN1RAB9AMAPT
SCHEMBL17920176 0.93 NPC1 (0.62) NPC1KMT2AMEN1RAB9AMAPT
SCHEMBL195208 0.90 NPC1 (0.59) NPC1KMT2AMEN1RAB9AMAPT
SCHEMBL15910010 0.90 NPC1 (0.59) NPC1KMT2AMEN1RAB9AMAPT
SCHEMBL807727 0.90 NPC1 (0.59) NPC1KMT2AMEN1RAB9AMAPT
SCHEMBL19756253 0.90 NPC1 (0.66) NPC1KMT2AMEN1RAB9AMAPT
SCHEMBL17571546 0.89 TSHR (0.59) NPC1KMT2AMEN1RAB9AMAPT
SCHEMBL12216381 0.88 NPC1 (0.53) NPC1KMT2AMEN1RAB9AMAPT

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-7344706-B2 Benzotriazoles, dibenzoylmethane derivatives and camphor derivatives: Ultraviolet filters in cosmetic compositions CIBA SPECIALTY CHEMICALS CORP. (US) 2008-03-18 US disclosed