SCHEMBL1432661

SCHEMBL1432661

Nc1ccc(CNC(=O)[C@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)[C@H]2CC(F)(F)CN2)cn1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MASP2 O00187 5/20 0.45
▸ F2 P00734 8/20 0.42
▸ CTSC P53634 1/20 0.39
▸ CTSL P07711 1/20 0.39
▸ FNTA P49354 1/20 0.38
▸ PGGT1B P53609 1/20 0.38
▸ KLKB1 P03952 1/20 0.35

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
SCHEMBL1432181 0.86 F2 (0.60) MASP2F2
SCHEMBL1431930 0.84 MASP2 (0.45) MASP2F2CTSCCTSLFNTA
Hydrochloric Acid SCHEMBL1432057 0.83 MASP2 (0.44) MASP2F2CTSCCTSLFNTA
SCHEMBL1432216 0.83 MASP2 (0.44) MASP2F2CTSCCTSLFNTA
SCHEMBL1433144 0.81 MASP2 (0.41) MASP2F2CTSLFNTAPGGT1B
SCHEMBL1434677 0.78 HTRA1 (0.41) MASP2KLKB1
SCHEMBL3157823 0.77 MASP2 (0.44) MASP2F2KLKB1
SCHEMBL1900640 0.77 KLKB1 (0.43) MASP2F2KLKB1
SCHEMBL3157804 0.77 MASP2 (0.44) MASP2F2KLKB1
SCHEMBL1900645 0.77 KLKB1 (0.43) MASP2F2KLKB1

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
Send feedback