SCHEMBL4701042

SCHEMBL4701042

CCOC(=O)Cc1ccc2ncccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.52
KDM4E B2RXH2 2/20 0.52
NPC1 O15118 1/20 0.51
PKM P14618 1/20 0.51
NFKB1 P19838 1/20 0.51
RAB9A P51151 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAOB P27338 3/20 0.49
HTT P42858 2/20 0.49
ALOX15 P16050 1/20 0.49
ALOX5 P09917 1/20 0.48
ALDH1A1 P00352 3/20 0.47
ANO1 Q5XXA6 1/20 0.47
GLS O94925 1/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 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
SCHEMBL3589062 0.86 PDE3B (0.55) HDAC3KDM4EHTTALOX15ALOX5
SCHEMBL359850 0.86 ALOX15 (0.58) HDAC3KDM4ENPC1PKMNFKB1
SCHEMBL27876767 0.83 HDAC3 (0.54) HDAC3KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL3592304 0.82 L3MBTL1 (0.52) KDM4ENPC1PKMNFKB1RAB9A
SCHEMBL27650579 0.82 PDE3B (0.51) HDAC3KDM4ESMN1; SMN2HTTALOX15
Propionic Acid SCHEMBL27755022 0.82 HDAC3 (0.48) HDAC3NPC1SMN1; SMN2HTTALOX15
SCHEMBL25139422 0.81 HDAC3 (0.55) HDAC3NPC1RAB9ASMN1; SMN2HTT
SCHEMBL24814483 0.81 HDAC3 (0.58) HDAC3KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL26068233 0.81 MAOB (0.52) KDM4ENPC1PKMNFKB1RAB9A
SCHEMBL3595128 0.80 MAOB (0.51) KDM4ENPC1PKMNFKB1RAB9A

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-1966214-A1 TRIAZOLOPYRIDAZINES AS TYROSINE KINASE MODULATORS Janssen Pharmaceutica, N.V. (BE) 2008-09-10 EP disclosed
WO-2007075567-A1 TRIAZOLOPYRIDAZINES AS TYROSINE KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-05 WO disclosed