SCHEMBL1663969

SCHEMBL1663969

CN(C)c1ccc(Nc2ccc(NC(=O)c3ccc4[nH]c(-c5ccc(N(C)C)cc5)nc4c3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 6/20 0.58
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
MMP2 P08253 3/20 0.54
MMP9 P14780 3/20 0.54
MMP8 P22894 3/20 0.54
MMP13 P45452 3/20 0.54
MAPT P10636 3/20 0.54
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
POLB P06746 2/20 0.52
KDM4E B2RXH2 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
SIRT2 Q8IXJ6 1/20 0.50
SIRT1 Q96EB6 1/20 0.50

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
SCHEMBL6126542 1.00 HPSE (0.58) HPSERAB9ANPC1MMP2MMP9
SCHEMBL23845415 0.97 HPSE (0.61) HPSERAB9ANPC1MMP2MMP9
SCHEMBL8770559 0.97 HPSE (0.61) HPSERAB9ANPC1MMP2MMP9
SCHEMBL29698973 0.97 HPSE (0.61) HPSERAB9ANPC1MMP2MMP9
SCHEMBL8767746 0.96 HPSE (0.63) HPSERAB9ANPC1MMP2MMP9
SCHEMBL1663973 0.96 HPSE (0.63) HPSERAB9ANPC1MMP2MMP9
SCHEMBL6126543 0.96 HPSE (0.63) HPSERAB9ANPC1MMP2MMP9
SCHEMBL6126154 0.94 HPSE (0.58) HPSERAB9ANPC1MMP2MMP9
SCHEMBL20001679 0.93 HPSE (0.57) HPSERAB9ANPC1MMP2MMP9
SCHEMBL29698936 0.92 CHEK2 (0.60) HPSERAB9ANPC1MMP2MMP9

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