SCHEMBL1664332

SCHEMBL1664332

CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(Nc3ccc(Nc4ccc(N5CCC(O)CC5)cc4)cc3)cc2)c1C

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.57
NPC1 O15118 7/20 0.57
PKM P14618 7/20 0.57
MAPT P10636 8/20 0.55
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 1/20 0.51
TP53 P04637 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
LMNA P02545 5/20 0.48
HTT P42858 4/20 0.48
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
CREBBP Q92793 1/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL1664334 0.96 NPC1 (0.53) RAB9ANPC1PKMMAPTSMN1; SMN2
SCHEMBL1664249 0.78 NPC1 (0.46) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL1664638 0.78 EGFR (0.44) RAB9ANPC1PKMMAPTSMN1; SMN2
SCHEMBL21254567 0.78 RAB9A (0.71) RAB9ANPC1PKMMAPTSMN1; SMN2
SCHEMBL1664033 0.78 MAPT (0.46) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL1664754 0.77 NPC1 (0.46) RAB9ANPC1PKMMAPTSMN1; SMN2
SCHEMBL1667494 0.77 PDE7A (0.46) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL8769706 0.76 RAB9A (0.58) RAB9ANPC1PKMMAPTSMN1; SMN2
SCHEMBL1664252 0.75 MAPT (0.50) RAB9ANPC1PKMMAPTSMN1; SMN2
SCHEMBL1664639 0.75 RAB9A (0.50) RAB9ANPC1PKMMAPTSMN1; SMN2

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