SCHEMBL11313664

SCHEMBL11313664

Nc1cc(Cl)c(NC(=O)COc2ccccc2)cc1Cl

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.67
RAB9A P51151 5/20 0.67
L3MBTL1 Q9Y468 3/20 0.67
POLB P06746 2/20 0.54
TSHR P16473 2/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPK10 P53779 1/20 0.51
HSD17B10 Q99714 1/20 0.51
GAA P10253 2/20 0.51
LMNA P02545 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL11693798 0.89 NPC1 (0.60) NPC1RAB9AL3MBTL1POLBTSHR
SCHEMBL11313646 0.81 POLB (0.72) NPC1RAB9AL3MBTL1POLBALDH1A1
SCHEMBL11309805 0.81 NPC1 (0.72) NPC1RAB9AL3MBTL1POLBLMNA
SCHEMBL30463822 0.80 NPC1 (0.78) NPC1RAB9AL3MBTL1POLBMEN1
SCHEMBL11315790 0.79 KMT2A (0.63) NPC1RAB9AL3MBTL1POLBALDH1A1
SCHEMBL29353454 0.77 NPC1 (0.61) NPC1RAB9AL3MBTL1POLBTSHR
SCHEMBL8689566 0.76 TRPM4 (0.75) NPC1RAB9AL3MBTL1POLBALDH1A1
SCHEMBL11307891 0.76 LMNA (0.58) NPC1RAB9AL3MBTL1POLBTSHR
SCHEMBL11309015 0.76 POLB (0.60) NPC1RAB9AL3MBTL1POLBTSHR
SCHEMBL9400403 0.75 NPC1 (0.61) NPC1RAB9AL3MBTL1POLBTSHR

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-4263205-A FOR COLORING POLYMERS, LACQUERS CIBA-GEIGY CORPORATION (US) 1981-04-21 US disclosed
US-4062838-A LACQUERS, PRINTING INKS, YELLOW TO ORANGE CIBA-GEIGY CORPORATION (US) 1977-12-13 US disclosed