SCHEMBL14889484

SCHEMBL14889484

COc1ccc(C(=O)c2ccccc2-n2c(Cl)c(O)c3ccccc32)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.44
LMNA P02545 4/20 0.44
MAPT P10636 4/20 0.44
HTT P42858 1/20 0.44
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2C19 P33261 3/20 0.43
HPGD P15428 2/20 0.43
PGR P06401 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
AR P10275 1/20 0.43
CHRM1 P11229 1/20 0.43
ALOX15 P16050 1/20 0.43
TBXA2R P21731 1/20 0.43
SLC6A2 P23975 1/20 0.43
ADRA1A P35348 1/20 0.43
HIF1A Q16665 1/20 0.43
RAB9A P51151 7/20 0.41
USP2 O75604 1/20 0.41
CASP3 P42574 1/20 0.41

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
SCHEMBL3407920 0.78 LMNA (0.48) NPC1LMNAMAPTHTTCYP1A2
SCHEMBL149055 0.77 NPC1 (0.47) NPC1LMNAMAPTHTTCYP1A2
SCHEMBL3402387 0.74 LMNA (0.44) NPC1LMNAMAPTHTTCYP1A2
SCHEMBL3409035 0.74 MAPT (0.44) NPC1LMNAMAPTCYP1A2CYP3A4
SCHEMBL11577282 0.74 KMT2A (0.63) NPC1LMNAMAPTHTTCYP1A2
SCHEMBL3236831 0.73 NPC1 (0.68) NPC1LMNAMAPTHTTCYP1A2
SCHEMBL16817090 0.73 NPC1 (0.43) NPC1LMNAMAPTHTTCYP1A2
SCHEMBL16817091 0.72 HSD17B10 (0.44) NPC1MAPTHTTHPGDRAB9A
SCHEMBL1874869 0.72 HPGD (0.79) NPC1LMNAMAPTHTTCYP1A2
SCHEMBL27183151 0.72 NPC1 (0.62) NPC1LMNAMAPTHTTCYP1A2

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
EP-2427431-B1 NOVEL INDICATOR PLATFORM BIOSYNTH AG (CH) 2013-05-01 EP disclosed