SCHEMBL1666853

SCHEMBL1666853

O=C(NC1CC1)c1ccc(-n2ccc3cc(Nc4ccc(N5CCS(=O)(=O)CC5)cc4)ccc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.45
SMYD3 Q9H7B4 2/20 0.44
HTR2A P28223 5/20 0.43
DRD3 P35462 5/20 0.43
DRD2 P14416 3/20 0.43
HPGDS O60760 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
JAK3 P52333 1/20 0.43
SYK P43405 1/20 0.42
JAK2 O60674 3/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
DHODH Q02127 1/20 0.39
AURKA O14965 1/20 0.39
CDK4 P11802 1/20 0.39

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
SCHEMBL13836635 0.93 SMYD3 (0.44) BRD4SMYD3HTR2ADRD3DRD2
SCHEMBL1666855 0.93 BRD4 (0.47) BRD4SMYD3HTR2ADRD3DRD2
SCHEMBL1664403 0.90 BRD4 (0.57) BRD4SMYD3HTR2ADRD3DRD2
SCHEMBL1666783 0.89 SMYD3 (0.46) BRD4SMYD3HPGDSMAPTRAB9A
SCHEMBL13836637 0.85 SMYD3 (0.44) BRD4SMYD3HPGDSMAPTRAB9A
SCHEMBL1667320 0.83 HPGDS (0.49) BRD4SMYD3HPGDSMAPTRAB9A
SCHEMBL1664406 0.82 NPC1 (0.53) BRD4HPGDSRAB9A
SCHEMBL1664447 0.81 SMYD3 (0.43) BRD4SMYD3HTR2ADRD3DRD2
SCHEMBL1666784 0.81 SMYD3 (0.46) BRD4SMYD3HPGDSMAPTRAB9A
SCHEMBL1667322 0.78 HPGDS (0.48) SMYD3HPGDSMAPTRAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2642994-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS Ligand Pharmaceuticals Incorporated (US) 2013-10-02 EP disclosed
EP-2488486-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES Ligand Pharmaceuticals Inc. (US) 2012-08-22 EP disclosed
WO-2012068406-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-05-24 WO disclosed
WO-2011046954-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2011-04-21 WO disclosed