SCHEMBL9408808

SCHEMBL9408808

NCc1cc(-c2ccccc2)cc(-n2nc3ccccc3n2)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.39
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
PTPN1 P18031 2/20 0.37
PTPN2 P17706 1/20 0.37
PTPN6 P29350 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 5/20 0.36
HPGD P15428 3/20 0.36
DPP4 P27487 1/20 0.34
ALDH1A1 P00352 4/20 0.34
MAPT P10636 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
BACE1 P56817 1/20 0.33

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
SCHEMBL9408883 0.89 NPC1 (0.40) NPC1RAB9ALMNAPOLBPTPN1
SCHEMBL9408798 0.82 NPC1 (0.49) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL4979055 0.81 NPC1 (0.43) NPC1RAB9ALMNAPOLBCRHBP
SCHEMBL508460 0.81 NPC1 (0.62) NPC1RAB9ALMNAPOLBCYP2C9
SCHEMBL9408769 0.81 NPC1 (0.51) NPC1RAB9ALMNAPOLBCYP2C9
SCHEMBL9408845 0.81 NPC1 (0.42) NPC1RAB9ALMNAPOLBPTPN1
Hydrochloric Acid SCHEMBL8372133 0.80 NPC1 (0.61) NPC1RAB9ALMNAPOLBCYP2C9
SCHEMBL7752841 0.79 CYP3A4 (0.41) NPC1RAB9ALMNAPOLBCRHBP
SCHEMBL6672691 0.79 NPC1 (0.48) NPC1RAB9ALMNAPOLBCRHBP
SCHEMBL9408768 0.78 NPC1 (0.45) NPC1RAB9ALMNAPOLBKDM4E

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-0593936-A1 N-[2-hydroxy-3-(2H-benzotriazol-2-yl)benzyl]oxamides as light stabilisers ELF ATOCHEM NORTH AMERICA, INC. (US) 1994-04-27 EP disclosed