SCHEMBL1664638

SCHEMBL1664638

Cc1c[nH]c(C)c1C(=O)Nc1ccc(Nc2ccc(Nc3ccc(N4CCC(O)CC4)cc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.44
PDE7A Q13946 1/20 0.43
NPC1 O15118 8/20 0.43
RAB9A P51151 8/20 0.43
MAPT P10636 6/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
ALDH1A1 P00352 4/20 0.43
GAA P10253 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HPGDS O60760 1/20 0.43
KDM4E B2RXH2 2/20 0.43
KMT2A Q03164 2/20 0.43
MCL1 Q07820 2/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
GLA P06280 1/20 0.42
USP2 O75604 1/20 0.42

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
SCHEMBL1664639 0.96 RAB9A (0.50) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL6126341 0.95 PDE7A (0.44) EGFRPDE7ANPC1RAB9AMAPT
SCHEMBL6126340 0.95 PDE7A (0.44) EGFRPDE7ANPC1RAB9AMAPT
SCHEMBL8776707 0.91 MCHR1 (0.46) PDE7ANPC1RAB9AMAPTSMN1; SMN2
SCHEMBL13836470 0.91 MCHR1 (0.46) PDE7ANPC1RAB9AMAPTSMN1; SMN2
SCHEMBL6125945 0.88 PDE7A (0.40) EGFRPDE7AMAPTALDH1A1KDM4E
SCHEMBL6125946 0.85 SLC2A1 (0.45) EGFRNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL1664249 0.84 NPC1 (0.46) PDE7ANPC1RAB9AMAPTSMN1; SMN2
SCHEMBL1667499 0.83 RAB9A (0.49) EGFRPDE7ANPC1RAB9AMAPT
SCHEMBL1667494 0.82 PDE7A (0.46) EGFRPDE7ANPC1RAB9AMAPT

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