SCHEMBL3724914

SCHEMBL3724914

Cc1cc(NC2CCN(C(=O)OC(C)(C)C)CC2)c2[nH]c(-c3ccccc3)cc2c1.Cc1cc(NC2CCNCC2)c2[nH]c(-c3ccccc3)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.48
VCP P55072 2/20 0.45
BRD4 O60885 1/20 0.43
PIM1 P11309 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HPGDS O60760 1/20 0.42
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PRMT5 O14744 1/20 0.41
USP30 Q70CQ3 2/20 0.41
SYK P43405 1/20 0.40
BACE1 P56817 1/20 0.40
GPR119 Q8TDV5 1/20 0.40

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
SCHEMBL2995216 0.96 KIT (0.52) KITVCPBRD4PIM1PIM2
SCHEMBL3723439 0.91 KIT (0.49) KITVCPBRD4PIM1PIM2
SCHEMBL3724911 0.84 KIT (0.38) KITVCPBRD4PIM1PIM2
SCHEMBL2999762 0.83 BRD4 (0.48) BRD4ALDH1A1MAPK1PRMT5SYK
SCHEMBL27237619 0.83 KIT (0.48) KITVCPBRD4PIM1PIM2
SCHEMBL3000216 0.83 NPY5R (0.50) BRD4PIM1PIM2MAPTMAPK1
Hydrochloric Acid SCHEMBL3415428 0.82 BRD4 (0.47) BRD4ALDH1A1MAPK1PRMT5SYK
SCHEMBL3109553 0.81 NPY5R (0.44) BRD4
SCHEMBL2999826 0.80 VCP (0.40) VCPBRD4SYK
SCHEMBL27808315 0.80 EPHX2 (0.44) VCPMAPT

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-2178870-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG Life Sciences Ltd. (KR) 2010-04-28 EP disclosed
WO-2009025478-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2009-02-26 WO disclosed