SCHEMBL4035524

SCHEMBL4035524

O=C(Nc1ccc2cccc(O)c2n1)c1ccccn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.62
RAB9A P51151 6/20 0.62
KDM4E B2RXH2 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
TSHR P16473 3/20 0.62
KMT2A Q03164 3/20 0.62
LMNA P02545 3/20 0.62
TP53 P04637 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
ALOX12 P18054 2/20 0.62
ALOX15 P16050 1/20 0.62
HTT P42858 1/20 0.62
KLF5 Q13887 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
GRM4 Q14833 2/20 0.52
ALDH1A1 P00352 2/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
KDR P35968 2/20 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
SCHEMBL1507712 0.85 KDM4E (0.61) NPC1RAB9AKDM4ESMN1; SMN2TSHR
SCHEMBL8342468 0.85 KDM4E (0.60) NPC1RAB9AKDM4ESMN1; SMN2TSHR
SCHEMBL12720966 0.83 KDM4E (0.55) NPC1RAB9AKDM4ESMN1; SMN2TSHR
SCHEMBL12720952 0.83 KDM4E (0.55) NPC1RAB9AKDM4ESMN1; SMN2TSHR
SCHEMBL7171489 0.81 NPC1 (0.63) NPC1RAB9AKDM4ESMN1; SMN2TSHR
SCHEMBL7692175 0.80 EGLN1 (0.64) NPC1RAB9AKDM4ESMN1; SMN2TSHR
SCHEMBL4037192 0.79 LMNA (0.56) NPC1RAB9AKDM4ESMN1; SMN2TSHR
SCHEMBL9311156 0.77 KDM4E (0.57) NPC1RAB9AKDM4ESMN1; SMN2TSHR
SCHEMBL8342587 0.77 ALOX12 (1.00) NPC1RAB9AKDM4ESMN1; SMN2TSHR
SCHEMBL31307165 0.76 PAX8 (0.69) NPC1RAB9AKDM4ESMN1; SMN2TSHR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079699-A1 QUINOLINE DERIVATIVES Envivo Pharmaceuticals, Inc. (US) 2009-07-22 EP claimed
WO-2008014602-A1 QUINOLINE DERIVATIVES ENVIVO PHARMACEUTICALS, INC. (US) 2008-02-07 WO claimed
EP-2079699-A1 QUINOLINE DERIVATIVES Envivo Pharmaceuticals, Inc. (US) 2009-07-22 EP disclosed
WO-2008014602-A1 QUINOLINE DERIVATIVES ENVIVO PHARMACEUTICALS, INC. (US) 2008-02-07 WO disclosed
WO-2008014602-A1 QUINOLINE DERIVATIVES ENVIVO PHARMACEUTICALS, INC. (US) 2008-02-07 WO disclosed