SCHEMBL15054971

SCHEMBL15054971

CCCc1cc2c(O)c(C(=O)OCC)cnc2cc1Br

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.43
MAPK1 P28482 2/20 0.43
MAPT P10636 5/20 0.41
TP53 P04637 2/20 0.41
GAA P10253 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 3/20 0.40
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NMT1 P30419 1/20 0.39
THRB P10828 1/20 0.39
AURKB Q96GD4 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PKM P14618 1/20 0.38

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
SCHEMBL15054272 0.91 MAPK1 (0.45) MAPK1MAPTTP53GAANPSR1
SCHEMBL7573464 0.85 MAPT (0.49) MAPK1MAPTTP53GAANPSR1
SCHEMBL15054278 0.85 GABRP (0.40)
SCHEMBL21050728 0.83 MAPT (0.46) MAPK1MAPTTP53GAANPSR1
SCHEMBL10518080 0.83 MEN1 (0.52) MAPK1MAPTTP53GAANPSR1
SCHEMBL11438240 0.83 MAPT (0.45) HSP90AA1MAPK1MAPTTP53GAA
SCHEMBL15055104 0.81 GAA (0.46) MAPK1MAPTTP53GAANPSR1
SCHEMBL11393991 0.81 MAPT (0.48) MAPK1MAPTTP53GAANPSR1
SCHEMBL2911498 0.81 MEN1 (0.52) MAPK1MAPTTP53GAANPSR1
SCHEMBL18530485 0.78 KDM4E (0.44) MAPK1MAPTTP53GAANPSR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013096151-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2013-06-27 WO disclosed