SCHEMBL5715919

SCHEMBL5715919

O=C(NN=C(C=NO)c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.53
RAB9A P51151 6/20 0.53
KDM4E B2RXH2 5/20 0.53
ALDH1A1 P00352 4/20 0.53
MAPT P10636 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
GLA P06280 1/20 0.53
GSTA1 P08263 1/20 0.49
SMN1; SMN2 Q16637 8/20 0.48
POLB P06746 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
NFKB1 P19838 1/20 0.46
CYP2C19 P33261 1/20 0.46
CASP3 P42574 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SENP7 Q9BQF6 1/20 0.46

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
SCHEMBL5715915 1.00 NPC1 (0.53) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL4883234 0.92 ALDH1A1 (0.54) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL4883238 0.92 ALDH1A1 (0.54) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL4878977 0.91 MAPT (0.59) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL4890089 0.91 POLB (0.61) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL4887969 0.91 KMT2A (0.61) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL4886157 0.91 POLB (0.61) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL4886161 0.91 POLB (0.61) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL4883205 0.91 KMT2A (0.61) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL4883211 0.91 KMT2A (0.61) NPC1RAB9AKDM4EALDH1A1MAPT

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
EP-1725227-A1 USE OF NEW LIPOXYGENASE INHIBITORS Biolipox AB (SE) 2006-11-29 EP disclosed
WO-2005084656-A1 USE OF NEW LIPOXYGENASE INHIBITORS BIOLIPOX AB (SE) 2005-09-15 WO disclosed