SCHEMBL28218187

SCHEMBL28218187

CC(C)(C)c1ccc(O)c(-n2nc3ccccc3n2)c1.c1c[nH]nn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
LMNA P02545 1/20 0.49
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP2D6 P10635 2/20 0.33
POLB P06746 2/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
KDM4E B2RXH2 2/20 0.32

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
SCHEMBL78159 0.86 NPC1 (0.64) NPC1RAB9ALMNAALDH1A1HPGD
SCHEMBL29354646 0.86 NPC1 (0.64) NPC1RAB9ALMNAALDH1A1HPGD
Drometrizole SCHEMBL10809817 0.80 NPC1 (0.78) NPC1RAB9ALMNAALDH1A1HPGD
SCHEMBL7198524 0.77 NPC1 (0.52) NPC1RAB9ALMNAALDH1A1HPGD
Octrizole SCHEMBL5547097 0.77 NPC1 (0.52) NPC1RAB9ALMNAALDH1A1HPGD
SCHEMBL10544666 0.76 NPC1 (0.62) NPC1RAB9ALMNAALDH1A1HPGD
SCHEMBL723163 0.75 ALDH1A1 (0.44) LMNAALDH1A1HPGDALOX15HSD17B10
SCHEMBL7190428 0.75 NPC1 (0.60) NPC1RAB9ALMNAALDH1A1HPGD
SCHEMBL11306262 0.75 NPC1 (0.51) NPC1RAB9ALMNAALDH1A1HPGD
SCHEMBL351147 0.75 NPC1 (0.46) NPC1RAB9ALMNAALDH1A1HPGD

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
CN-106611802-B A kind of E-film for solar back panel material 中天光伏材料有限公司 2018-05-04 CN disclosed