SCHEMBL5809769

SCHEMBL5809769

O=C(NN=CCc1ccccc1O)c1ccncc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.61
RAB9A P51151 5/20 0.61
L3MBTL1 Q9Y468 3/20 0.61
HTT P42858 1/20 0.61
PAX8 Q06710 1/20 0.51
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
USP2 O75604 1/20 0.50
CYP2D6 P10635 1/20 0.49
TDP1 Q9NUW8 3/20 0.48
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 2/20 0.47
MITF O75030 2/20 0.47
ASF1A Q9Y294 1/20 0.47
GPR174 Q9BXC1 1/20 0.47
CYP1A2 P05177 1/20 0.47

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
SCHEMBL5809224 0.85 NPC1 (0.59) NPC1RAB9AL3MBTL1HTTPAX8
SCHEMBL5814788 0.85 POLB (0.56) NPC1RAB9AHTTKMT2AMEN1
SCHEMBL5812806 0.85 POLB (0.56) NPC1RAB9AHTTKMT2AMEN1
SCHEMBL5809953 0.84 NPC1 (0.50) NPC1RAB9AL3MBTL1HTTKMT2A
SCHEMBL5809674 0.84 NPC1 (0.50) NPC1RAB9AL3MBTL1HTTKMT2A
SCHEMBL5815125 0.84 ALDH1A1 (0.50) NPC1RAB9AHTTKMT2AMEN1
SCHEMBL5809442 0.83 L3MBTL1 (0.50) NPC1RAB9AL3MBTL1HTTPAX8
SCHEMBL5809458 0.83 L3MBTL1 (0.50) NPC1RAB9AL3MBTL1HTTPAX8
SCHEMBL2987972 0.82 MAPT (0.59) NPC1RAB9AL3MBTL1HTTKMT2A
Salinazid SCHEMBL1173696 0.76 NPC1 (1.00) NPC1RAB9AL3MBTL1HTTKMT2A

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
WO-2006136008-A1 SALICYLIC ACID HYDRAZONES AS INHIBITORS OF THE ERK MAPKINASE PATHWAY AND FOR THE TREATMENT OF CANCER UNIVERSITY HEALTH NETWORK (CA) 2006-12-28 WO disclosed