SCHEMBL5814633

SCHEMBL5814633

COc1cccc(/C=N\NC(=O)c2cc(C)nc3ccc(Br)cc23)c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.61
HTT P42858 9/20 0.61
KMT2A Q03164 9/20 0.61
NPC1 O15118 8/20 0.61
SMN1; SMN2 Q16637 7/20 0.61
RAB9A P51151 7/20 0.61
MEN1 O00255 7/20 0.61
TDP1 Q9NUW8 4/20 0.61
POLB P06746 4/20 0.61
ALDH1A1 P00352 3/20 0.61
MAPT P10636 11/20 0.59
L3MBTL1 Q9Y468 4/20 0.59
LMNA P02545 7/20 0.59
TP53 P04637 1/20 0.59
MAPK1 P28482 1/20 0.59
PKM P14618 2/20 0.56
NQO1 P15559 1/20 0.55
NQO2 P16083 1/20 0.55
PAX8 Q06710 1/20 0.55
RECQL P46063 1/20 0.54

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
SCHEMBL5814635 1.00 KDM4E (0.61) KDM4EHTTKMT2ANPC1SMN1; SMN2
SCHEMBL5813715 0.90 NPC1 (0.61) KDM4EHTTKMT2ANPC1SMN1; SMN2
SCHEMBL5813718 0.90 NPC1 (0.61) KDM4EHTTKMT2ANPC1SMN1; SMN2
SCHEMBL5814666 0.90 NPC1 (0.61) KDM4EHTTKMT2ANPC1SMN1; SMN2
SCHEMBL5815653 0.89 NPC1 (0.74) KDM4EHTTKMT2ANPC1SMN1; SMN2
SCHEMBL13549798 0.89 NPC1 (0.74) KDM4EHTTKMT2ANPC1SMN1; SMN2
SCHEMBL5815648 0.89 NPC1 (0.74) KDM4EHTTKMT2ANPC1SMN1; SMN2
SCHEMBL5809168 0.84 KMT2A (0.60) KDM4EHTTKMT2ANPC1SMN1; SMN2
SCHEMBL21436024 0.84 KMT2A (0.60) KDM4EHTTKMT2ANPC1SMN1; SMN2
SCHEMBL29490358 0.84 KMT2A (0.60) KDM4EHTTKMT2ANPC1SMN1; SMN2

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