SCHEMBL1664646

SCHEMBL1664646

Cn1ccc2cc(C(=O)Nc3ccc(-n4ccc5cc(Nc6ccc(N7CCC(O)CC7)cc6)ccc54)cc3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.48
RAB9A P51151 10/20 0.46
NPC1 O15118 9/20 0.46
CHRNA7 P36544 1/20 0.44
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
POLB P06746 2/20 0.43
MCL1 Q07820 2/20 0.43
TNIK Q9UKE5 1/20 0.43
LMNA P02545 2/20 0.42
HPGDS O60760 1/20 0.42
TP53 P04637 1/20 0.40
USP2 O75604 1/20 0.40
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDE7A Q13946 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 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
SCHEMBL1664647 0.95 MAOB (0.53) MAOBRAB9ANPC1CHRNA7KMT2A
SCHEMBL1663566 0.93 MAOB (0.53) MAOBRAB9ANPC1CHRNA7KMT2A
SCHEMBL1664229 0.92 MAOB (0.50) MAOBRAB9ANPC1CHRNA7KMT2A
SCHEMBL1664617 0.87 MAOB (0.45) MAOBRAB9ANPC1CHRNA7KMT2A
SCHEMBL27936943 0.86 TNIK (0.49) MAOBRAB9ANPC1KMT2AMEN1
SCHEMBL1664298 0.85 RAB9A (0.50) RAB9ANPC1CHRNA7KMT2AMEN1
SCHEMBL8771364 0.84 MAOB (0.49) MAOBRAB9ANPC1CHRNA7KMT2A
SCHEMBL8776553 0.83 MAOB (0.58) MAOBRAB9ANPC1CHRNA7KMT2A
SCHEMBL1667322 0.83 HPGDS (0.48) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL1667320 0.83 HPGDS (0.49) RAB9ANPC1CHRNA7KMT2AMEN1

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