SCHEMBL1903462

SCHEMBL1903462

Nc1ccc(CNC(=O)C(Cc2cccc3ccccc23)NC(=O)Nc2ccccc2)cn1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 3/20 0.50
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ MAPT P10636 1/20 0.49
▸ JAK2 O60674 1/20 0.47
▸ HDAC1 Q13547 1/20 0.46
▸ F7 P08709 1/20 0.45
▸ CYP3A4 P08684 1/20 0.43
▸ CTSS P25774 1/20 0.43
▸ CTSK P43235 1/20 0.43
▸ MASP2 O00187 1/20 0.42
▸ HRH4 Q9H3N8 1/20 0.42
▸ LCK P06239 1/20 0.42
▸ CPB1 P15086 1/20 0.42
▸ FPR1 P21462 1/20 0.41
▸ FPR2 P25090 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
SCHEMBL1903456 1.00 NAMPT (0.50) NAMPTMEN1KMT2AMAPTJAK2
SCHEMBL1906790 0.90 KLKB1 (0.49) NAMPTMEN1KMT2AHDAC1CTSS
SCHEMBL1906788 0.90 KLKB1 (0.49) NAMPTMEN1KMT2AHDAC1CTSS
SCHEMBL1906792 0.85 OPRD1 (0.47) CTSSCTSKMASP2HRH4LCK
SCHEMBL1906797 0.85 OPRD1 (0.47) CTSSCTSKMASP2HRH4LCK
SCHEMBL1905135 0.84 PSMB8 (0.53) CTSSCTSKMASP2HRH4LCK
SCHEMBL1905132 0.84 PSMB8 (0.53) CTSSCTSKMASP2HRH4LCK
SCHEMBL1904790 0.83 OPRD1 (0.48) HDAC1CTSSCTSKMASP2LCK
SCHEMBL1902805 0.83 OPRD1 (0.46) CTSSCTSKMASP2HRH4LCK
SCHEMBL1902802 0.83 OPRD1 (0.46) CTSSCTSKMASP2HRH4LCK

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-2011051671-A1 AMINOPYRIDINE DERIVATIVES AS KALLIKREIN INHIBITORS VANTIA LIMITED (GB) 2011-05-05 — — WO disclosed
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