SCHEMBL1665401

SCHEMBL1665401

O=C(Nc1ccc(Nc2ccc(Nc3ccc(N4CCC(O)CC4)cc3)cc2)c(Cl)c1)c1cc[nH]c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.44
RAB9A P51151 6/20 0.41
NPC1 O15118 5/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDE7B Q9NP56 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
MCL1 Q07820 1/20 0.40
ATM Q13315 1/20 0.39
MT-CO2 P00403 1/20 0.39
WDR91 A4D1P6 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL1665398 0.97 EGFR (0.44) EGFRRAB9ANPC1USP2ALDH1A1
SCHEMBL1665404 0.97 EGFR (0.44) EGFRRAB9ANPC1USP2ALDH1A1
SCHEMBL1667332 0.89 MAPT (0.48) RAB9ANPC1USP2ALDH1A1SMN1; SMN2
SCHEMBL1666904 0.89 NPC1 (0.47) EGFRRAB9ANPC1USP2ALDH1A1
SCHEMBL1664879 0.89 NPC1 (0.41) EGFRRAB9ANPC1USP2ALDH1A1
SCHEMBL1666906 0.87 RAB9A (0.50) RAB9ANPC1USP2ALDH1A1SMN1; SMN2
SCHEMBL1664139 0.86 ALDH1A1 (0.44) EGFRRAB9ANPC1USP2ALDH1A1
SCHEMBL1664881 0.86 NPC1 (0.45) EGFRRAB9ANPC1USP2SMN1; SMN2
SCHEMBL1664099 0.86 NPC1 (0.41) EGFRRAB9ANPC1USP2ALDH1A1
SCHEMBL1663777 0.86 NPC1 (0.45) EGFRRAB9ANPC1USP2SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488486-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES Ligand Pharmaceuticals Inc. (US) 2012-08-22 EP disclosed
WO-2011046954-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2011-04-21 WO disclosed