SCHEMBL1666855

SCHEMBL1666855

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.47
SMYD3 Q9H7B4 2/20 0.44
HPGDS O60760 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
JAK2 O60674 6/20 0.41
DHODH Q02127 1/20 0.39
CCNE1 P24864 2/20 0.38
CDK2 P24941 2/20 0.38
MAPK14 Q16539 1/20 0.37
MGLL Q99685 1/20 0.37
JAK3 P52333 1/20 0.37
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
DRD3 P35462 1/20 0.36
WEE1 P30291 1/20 0.36
PLK1 P53350 1/20 0.36

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
SCHEMBL1666853 0.93 BRD4 (0.45) BRD4SMYD3HPGDSMAPTRAB9A
SCHEMBL13836637 0.93 SMYD3 (0.44) BRD4SMYD3HPGDSMAPTRAB9A
SCHEMBL1664403 0.90 BRD4 (0.57) BRD4SMYD3HPGDSRAB9AJAK2
SCHEMBL1666783 0.89 SMYD3 (0.46) BRD4SMYD3HPGDSMAPTRAB9A
SCHEMBL13836635 0.85 SMYD3 (0.44) BRD4SMYD3HPGDSMAPTRAB9A
SCHEMBL1667320 0.83 HPGDS (0.49) BRD4SMYD3HPGDSMAPTRAB9A
SCHEMBL1664406 0.82 NPC1 (0.53) BRD4HPGDSRAB9AMAPK14
SCHEMBL1664447 0.81 SMYD3 (0.43) BRD4SMYD3HPGDSMAPTRAB9A
SCHEMBL1666784 0.81 SMYD3 (0.46) BRD4SMYD3HPGDSMAPTRAB9A
SCHEMBL1667322 0.78 HPGDS (0.48) SMYD3HPGDSMAPTRAB9AMAPK14

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