SCHEMBL9616588

SCHEMBL9616588

O=c1ccoc(-c2ccccc2-c2cccc([N+](=O)[O-])c2)n1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.51
RAB9A P51151 7/20 0.51
MAPT P10636 5/20 0.49
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ELANE P08246 1/20 0.48
MAPK1 P28482 1/20 0.47
PSMB8 P28062 1/20 0.46
PTPRC P08575 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
MAOB P27338 1/20 0.44
GRM5 P41594 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GUSB P08236 1/20 0.43

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
SCHEMBL6244930 0.79 GPR55 (0.47) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL9616811 0.79 ENPP3 (0.58) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL6799377 0.71 NPC1 (0.68) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL4649622 0.71 NPC1 (0.57) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL9347721 0.71 NPC1 (0.42) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL6797845 0.70 NPC1 (0.54) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL8051514 0.70 ALDH1A1 (0.67) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL11598977 0.69 PTGS2 (0.62) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL28122065 0.69 PTPRC (0.51) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL6683807 0.69 LMNA (0.46) NPC1RAB9AMAPTALDH1A1SMN1; SMN2

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-0502013-A1 USE OF HETEROCYCLIC COMPOUNDS AS BLEACH ACTIVATORS OR OPTICAL LIGHTENERS IN WASHING AND CLEANING AGENTS. BASF AG (DE) 1992-09-09 EP disclosed