SCHEMBL1665597

SCHEMBL1665597

O=C(Nc1ccc(-n2ncc3cc(Nc4ccc(N5CCC(O)CC5)cc4)ccc32)cc1)c1cc2ccccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TNIK Q9UKE5 1/20 0.44
KDM1A O60341 1/20 0.43
RCOR1 Q9UKL0 1/20 0.43
CYP51A1 Q16850 1/20 0.43
EGFR P00533 4/20 0.43
PIK3CA P42336 4/20 0.43
IDO1 P14902 1/20 0.42
MAPK10 P53779 5/20 0.41
MAPK8 P45983 4/20 0.41
MAPK13 O15264 2/20 0.40
MAPK12 P53778 2/20 0.40
MAPK11 Q15759 2/20 0.40
MAPK14 Q16539 2/20 0.40
ROCK2 O75116 1/20 0.40
MAOB P27338 1/20 0.40
APP P05067 1/20 0.40

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
SCHEMBL1665600 0.93 EGFR (0.47) NPC1RAB9ALMNASMN1; SMN2TNIK
SCHEMBL1665212 0.86 NPC1 (0.53) NPC1RAB9ATNIKKDM1ARCOR1
SCHEMBL1663342 0.84 MAOB (0.52) NPC1RAB9ASMN1; SMN2TNIKMAPK10
SCHEMBL1665067 0.83 MAPK10 (0.42) NPC1RAB9ALMNASMN1; SMN2TNIK
SCHEMBL1666461 0.83 MAPT (0.50) NPC1RAB9ASMN1; SMN2TNIKMAPK10
SCHEMBL1665219 0.82 MAPK10 (0.43) NPC1RAB9ASMN1; SMN2TNIKEGFR
SCHEMBL1663344 0.82 MAOB (0.56) NPC1RAB9ASMN1; SMN2TNIKMAPK10
SCHEMBL1664474 0.81 TNIK (0.46) NPC1RAB9ALMNASMN1; SMN2TNIK
SCHEMBL1664303 0.81 MAPK10 (0.45) NPC1RAB9ASMN1; SMN2TNIKMAPK10
SCHEMBL6126509 0.81 SMN1; SMN2 (0.45) NPC1RAB9ASMN1; SMN2TNIKMAPK10

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