SCHEMBL1663706

SCHEMBL1663706

Nc1ccc2[nH]c(-c3ccc(N4CCOCC4)cc3)cc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 1/20 0.48
▸ ITK Q08881 1/20 0.43
▸ PIK3R1 P27986 1/20 0.43
▸ PIK3CA P42336 1/20 0.43
▸ MTOR P42345 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ LGMN Q99538 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ CSF1R P07333 2/20 0.41
▸ MAP2 P11137 1/20 0.41
▸ TBK1 Q9UHD2 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL29513520 0.81 CYP2A6 (0.57) MAPTSMN1; SMN2KDM4EMEN1NPC1
SCHEMBL1663580 0.79 CYP2A6 (0.55) MAPTSMN1; SMN2GAAKDM4EMEN1
SCHEMBL1663221 0.76 PARP1 (0.52) XDHMAPTSMN1; SMN2GAAKDM4E
SCHEMBL3599361 0.74 MAPT (0.50) XDHMAPTSMN1; SMN2LGMNGAA
SCHEMBL14320289 0.74 PIK3R1 (0.59) XDHPIK3R1PIK3CAMTORMAPT
SCHEMBL1663224 0.74 MEN1 (0.67) MAPTSMN1; SMN2GAAKDM4EMEN1
SCHEMBL17199123 0.73 PDE10A (0.63) MAPTSMN1; SMN2GAAKDM4EMEN1
SCHEMBL28230938 0.73 RAB9A (0.65) MAPTSMN1; SMN2KDM4EMEN1NPC1
SCHEMBL17199124 0.73 CYP1A1 (0.60) MAPTSMN1; SMN2KDM4EMEN1NPC1
SCHEMBL5798756 0.73 MAPT (0.58) XDHPIK3R1PIK3CAMTORMAPT

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
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