SCHEMBL6049774

SCHEMBL6049774

CNC(=O)c1ncccc1Oc1ccc(NC(N)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
RAB9A P51151 4/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
HSD17B10 Q99714 1/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALOX15 P16050 1/20 0.44
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
HDAC3 O15379 1/20 0.43
BRAF P15056 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43

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
SCHEMBL4252286 0.84 MEN1 (0.45) ALDH1A1KMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL29614703 0.84 MEN1 (0.45) ALDH1A1KMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL4265602 0.83 NAMPT (0.48) ALDH1A1RAB9AKMT2AMEN1GAA
SCHEMBL28408407 0.82 KDM4E (0.39) ALDH1A1RAB9AKMT2AMEN1GAA
SCHEMBL30448108 0.81 RAB9A (0.46) ALDH1A1RAB9AKMT2AMEN1NPC1
SCHEMBL30448414 0.81 AXL (0.48) RAB9AKMT2ANPC1SMN1; SMN2LMNA
SCHEMBL30448073 0.80 KMT2A (0.51) ALDH1A1RAB9AKMT2AMEN1KDM4E
SCHEMBL5568329 0.79 RAF1 (0.64) ALDH1A1KMT2AMEN1GAASMN1; SMN2
SCHEMBL28413640 0.79 MET (0.47) RAB9AKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL12475004 0.78 EPHX2 (0.66)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1041982-A4 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER PHARMACEUTICALS CORP (US) 2006-06-14 EP disclosed
EP-1041982-A1 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS Bayer Corporation (US) 2000-10-11 EP disclosed
WO-1999032111-A1 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER CORPORATION (US) 1999-07-01 WO disclosed