SCHEMBL6989571

SCHEMBL6989571

Cc1cccc(C(=O)NCC(C)(C)C(Nc2c(Nc3cccnc3Cl)c(=O)c2=O)c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.43
CCR6 P51684 8/20 0.41
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
GPR139 Q6DWJ6 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CXCR1 P25024 1/20 0.39
CXCR2 P25025 1/20 0.39
MAPKAPK2 P49137 3/20 0.38
TP53 P04637 1/20 0.37

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
SCHEMBL6989589 0.92 CCR6 (0.44) KMT2ACCR6ALDH1A1NPC1RAB9A
SCHEMBL6985543 0.84 MAPKAPK2 (0.50) KMT2AMEN1MAPK1GPR139MAPKAPK2
SCHEMBL6985151 0.83 KMT2A (0.55) KMT2AMEN1POLBALDH1A1MAPK1
SCHEMBL6989095 0.80 KMT2A (0.50) KMT2AMEN1POLBALDH1A1MAPK1
SCHEMBL6985145 0.80 KMT2A (0.56) KMT2AMEN1CCR6POLBALDH1A1
SCHEMBL6983720 0.78 MAPKAPK2 (0.49) KMT2AMEN1POLBHTTGPR139
SCHEMBL6989503 0.75 MAPKAPK2 (0.49) KMT2AMEN1CCR6ALDH1A1MAPK1
SCHEMBL6983249 0.74 KMT2A (0.44) KMT2AMEN1POLBALDH1A1MAPK1
SCHEMBL6991687 0.73 KMT2A (0.42) KMT2AMEN1POLBALDH1A1MAPK1
SCHEMBL6985970 0.72 NPC1 (0.42) KMT2AMEN1CCR6POLBALDH1A1

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-1358160-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2003-11-05 EP disclosed
WO-2002062761-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO disclosed