SCHEMBL4704050

SCHEMBL4704050

COc1ccc(CC(=O)ONN)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
NPC1 O15118 7/20 0.45
LMNA P02545 5/20 0.45
PKM P14618 3/20 0.45
SMN1; SMN2 Q16637 5/20 0.44
MAPT P10636 6/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 7/20 0.43
RAB9A P51151 6/20 0.43
HTT P42858 4/20 0.43
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
ACACB O00763 2/20 0.41
MET P08581 1/20 0.41
NAMPT P43490 1/20 0.40
NPSR1 Q6W5P4 5/20 0.40
S1PR2 O95136 3/20 0.40
S1PR4 O95977 3/20 0.40

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
SCHEMBL2492499 0.86 NPC1 (0.51) NNMTKMT2AMEN1NPC1LMNA
SCHEMBL30195950 0.86 NPC1 (0.51) NNMTKMT2AMEN1NPC1LMNA
SCHEMBL2495046 0.82 MEN1 (0.55) NNMTKMT2AMEN1NPC1LMNA
SCHEMBL2371616 0.80 NNMT (0.57) NNMTKMT2AMEN1NPC1LMNA
SCHEMBL29590839 0.80 NNMT (0.57) NNMTKMT2AMEN1NPC1LMNA
SCHEMBL27956494 0.79 JAK2 (0.45) NNMTKMT2AMEN1NPC1LMNA
Hydrochloric Acid SCHEMBL29629381 0.78 NNMT (0.56) NNMTKMT2AMEN1NPC1LMNA
Hydrazine SCHEMBL4704048 0.78 GABRP (0.57) NNMTKMT2AMEN1NPC1LMNA
SCHEMBL2491663 0.78 GABRP (0.56) NNMTKMT2AMEN1NPC1LMNA
SCHEMBL4475387 0.78 NNMT (0.50) NNMTKMT2AMEN1NPC1LMNA

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