SCHEMBL1433306

SCHEMBL1433306

Cc1cc(C)c(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)NCc2ccc(N)nc2)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 9/20 0.55
CAPN1 P07384 3/20 0.47
NAMPT P43490 1/20 0.41
KLK1 P06870 2/20 0.41
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
MASP2 O00187 3/20 0.38
PSMB5 P28074 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
SCHEMBL1433012 0.93 KLKB1 (0.57) KLKB1CAPN1KLK1CTSLCTSS
SCHEMBL1433580 0.92 KLKB1 (0.65) KLKB1CAPN1KLK1MASP2
SCHEMBL1433325 0.91 KLKB1 (0.57) KLKB1CAPN1KLK1CTSLCTSB
SCHEMBL1432988 0.91 KLKB1 (0.52) KLKB1CAPN1NAMPTKLK1CTSB
SCHEMBL1435369 0.90 KLKB1 (0.51) KLKB1CAPN1NAMPTKLK1CTSL
SCHEMBL1433064 0.90 KLKB1 (0.61) KLKB1CAPN1KLK1CTSLCTSB
SCHEMBL1433003 0.89 KLKB1 (0.54) KLKB1CAPN1KLK1CTSLCTSS
SCHEMBL1433464 0.89 KLKB1 (0.60) KLKB1CAPN1KLK1CTSLCTSS
SCHEMBL1433394 0.89 KLKB1 (0.49) KLKB1CAPN1NAMPTKLK1MASP2
SCHEMBL1432898 0.89 KLKB1 (0.71) KLKB1KLK1

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 claimed