SCHEMBL1664701

SCHEMBL1664701

O=C(Nc1ccc(-n2ncc3cc(Nc4ccc(N5CCOCC5)cc4)ccc32)cc1)c1nccs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 3/20 0.46
TP53 P04637 2/20 0.46
MITF O75030 1/20 0.46
MAPK10 P53779 7/20 0.45
MAPK8 P45983 5/20 0.45
MAPK13 O15264 3/20 0.45
MAPK12 P53778 3/20 0.45
MAPK11 Q15759 3/20 0.45
MAPK14 Q16539 3/20 0.45
IRAK4 Q9NWZ3 1/20 0.45
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
ALDH1A1 P00352 2/20 0.43
CYP1A1 P04798 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP1B1 Q16678 1/20 0.43
MGLL Q99685 1/20 0.43

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
SCHEMBL1664705 0.92 MAPT (0.50) MAPTRAB9ASMN1; SMN2NPC1TP53
SCHEMBL1664957 0.90 MGLL (0.43) MAPK10MAPK8MAPK13MAPK12MAPK11
SCHEMBL1664618 0.83 MAPT (0.46) MAPTRAB9ASMN1; SMN2NPC1TP53
SCHEMBL1665787 0.83 CRACR2A (0.50) MAPTRAB9ASMN1; SMN2NPC1TP53
SCHEMBL1664960 0.82 MGLL (0.46) MAPTRAB9ASMN1; SMN2NPC1MAPK10
SCHEMBL13964699 0.81 MAPT (0.49) MAPTRAB9ASMN1; SMN2NPC1TP53
SCHEMBL1664485 0.80 MAPT (0.46) MAPTRAB9ASMN1; SMN2NPC1TP53
SCHEMBL1664258 0.79 JAK2 (0.48) MAPTSMN1; SMN2MAPK10MAPK8MAPK13
SCHEMBL1664913 0.79 MAPT (0.59) MAPTRAB9ASMN1; SMN2NPC1TP53
SCHEMBL1665048 0.78 MAPT (0.46) MAPTRAB9ASMN1; SMN2NPC1TP53

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