SCHEMBL1665046

SCHEMBL1665046

O=C(Nc1ccc(-n2ncc3cc(Nc4ccc(N5CCC(O)CC5)cc4)ccc32)cc1)c1ccc2cc[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 1/20 0.44
MAPK10 P53779 8/20 0.43
MAPK8 P45983 6/20 0.43
MAPK13 O15264 2/20 0.41
MAPK12 P53778 2/20 0.41
MAPK11 Q15759 2/20 0.41
MAPK14 Q16539 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
MCL1 Q07820 1/20 0.41
CHRNA7 P36544 2/20 0.40
ESR1 P03372 4/20 0.40
HTR3A P46098 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 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
SCHEMBL1665049 0.95 ESR1 (0.45) TNIKMAPK10MAPK8MAPK13MAPK12
SCHEMBL1665219 0.94 MAPK10 (0.43) TNIKMAPK10MAPK8MAPK13MAPK12
SCHEMBL1664509 0.91 ESR1 (0.49) TNIKMAPK10MAPK8MAPK13MAPK12
SCHEMBL1663835 0.90 MAPK10 (0.40) TNIKMAPK10MAPK8MAPK13MAPK12
SCHEMBL1665223 0.89 NPC1 (0.47) TNIKNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL1665076 0.88 NPC1 (0.49) TNIKNPC1RAB9AMAPTESR1
SCHEMBL6126148 0.88 MAPK10 (0.41) TNIKMAPK10MAPK8MAPK13MAPK12
SCHEMBL1664446 0.88 RAB9A (0.51) TNIKMAPK11MAPK14NPC1RAB9A
SCHEMBL1664303 0.87 MAPK10 (0.45) TNIKMAPK10MAPK8MAPK13MAPK12
SCHEMBL1664449 0.87 ESR1 (0.52) TNIKMAPK11MAPK14NPC1RAB9A

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