SCHEMBL1663605

SCHEMBL1663605

O=C(Nc1ccc(Nc2ccc(Nc3ccc(N4CCC(O)CC4)cc3)cc2)cc1)c1ccc2ccn(CCO)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.45
NPC1 O15118 10/20 0.45
MAPT P10636 7/20 0.45
KMT2A Q03164 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
POLB P06746 3/20 0.45
MEN1 O00255 3/20 0.45
MCL1 Q07820 1/20 0.45
LMNA P02545 3/20 0.44
USP2 O75604 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
TNIK Q9UKE5 1/20 0.43
MAPK14 Q16539 1/20 0.42
TP53 P04637 1/20 0.40
ATM Q13315 1/20 0.40
HPGDS O60760 1/20 0.39
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 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
SCHEMBL1663608 0.99 RAB9A (0.45) RAB9ANPC1MAPTKMT2ASMN1; SMN2
SCHEMBL1664636 0.93 RAB9A (0.45) RAB9ANPC1MAPTKMT2ASMN1; SMN2
SCHEMBL1664637 0.92 RAB9A (0.45) RAB9ANPC1MAPTKMT2ASMN1; SMN2
SCHEMBL1664298 0.85 RAB9A (0.50) RAB9ANPC1MAPTKMT2ASMN1; SMN2
SCHEMBL27918307 0.84 KMT2A (0.48) RAB9ANPC1MAPTKMT2ASMN1; SMN2
SCHEMBL1666178 0.83 MAPK10 (0.41) RAB9ANPC1MAPTKMT2ASMN1; SMN2
SCHEMBL1664181 0.82 MAPT (0.50) RAB9ANPC1MAPTKMT2ASMN1; SMN2
SCHEMBL1665850 0.82 HPGDS (0.50) RAB9ANPC1MAPTKMT2ASMN1; SMN2
SCHEMBL1664183 0.81 MAPT (0.49) RAB9ANPC1MAPTKMT2ASMN1; SMN2
SCHEMBL1663527 0.81 MAPK10 (0.40) RAB9ANPC1MAPTKMT2ASMN1; 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