SCHEMBL1432334

SCHEMBL1432334

Nc1ccc(CNC(=O)[C@H](Cc2ccc(F)c(F)c2)NC(=O)C2CCCN2Cc2cccc(Cl)c2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 4/20 0.46
▸ CTSV O60911 2/20 0.43
▸ CTSL P07711 2/20 0.43
▸ CTSS P25774 2/20 0.43
▸ CTSK P43235 1/20 0.43
▸ ADAM17 P78536 1/20 0.40
▸ ITGB1 P05556 1/20 0.40
▸ ITGA4 P13612 1/20 0.40
▸ HDAC1 Q13547 3/20 0.39
▸ HDAC2 Q92769 3/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ NPBWR1 P48145 1/20 0.38
▸ MCHR1 Q99705 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ XIAP P98170 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ F2R P25116 1/20 0.37
▸ KLKB1 P03952 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
SCHEMBL1433063 0.94 HDAC1 (0.44) F2ITGB1ITGA4HDAC1HDAC2
SCHEMBL1432028 0.93 HDAC1 (0.40) F2HDAC1HDAC2HDAC3XIAP
SCHEMBL1432977 0.89 F2 (0.49) F2CTSVCTSLCTSSCTSK
SCHEMBL1431769 0.87 DPP4 (0.39) F2XIAPMEN1KMT2AKLKB1
SCHEMBL1432630 0.87 DPP4 (0.39) F2XIAPMEN1KMT2AKLKB1
SCHEMBL1432037 0.86 TACR1 (0.47) F2ITGB1ITGA4HDAC1HDAC2
SCHEMBL1432083 0.86 TACR1 (0.47) F2ITGB1ITGA4HDAC1HDAC2
SCHEMBL3150073 0.86 MASP2 (0.40) F2ADAM17XIAPMEN1KMT2A
SCHEMBL1432780 0.86 F2 (0.42) F2XIAPMEN1KMT2A
SCHEMBL1432209 0.86 F2 (0.42) F2XIAPMEN1KMT2A

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
EP-2300428-A1 AMINOPYRIDINE DERIVATIVES Vantia Limited (GB) 2011-03-30 — — EP disclosed
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