SCHEMBL1431885

SCHEMBL1431885

Nc1ccc(CNC(=O)[C@@H](CNC(=O)[C@H](N)Cc2ccc(Cl)cc2)c2cccc(C(F)(F)F)c2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ F2 P00734 1/20 0.39
▸ USP36 Q9P275 1/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MALT1 Q9UDY8 1/20 0.38
▸ CNR1 P21554 2/20 0.37
▸ CCR1 P32246 3/20 0.37
▸ MASP2 O00187 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ PLA2G1B P04054 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C19 P33261 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
SCHEMBL1431488 0.84 MALT1 (0.39) MALT1MASP2
SCHEMBL3153097 0.83 F2 (0.49) F2MEN1KMT2AMASP2PLA2G1B
SCHEMBL3155114 0.82 MAPK14 (0.43) HPGDALDH1A1F2MEN1KMT2A
SCHEMBL1431882 0.82 MAPK14 (0.43) HPGDALDH1A1F2MEN1KMT2A
SCHEMBL1433035 0.81 F2 (0.40) F2MASP2BCHE
SCHEMBL1432382 0.81 F2 (0.40) ALDH1A1F2MEN1KMT2AMASP2
SCHEMBL3139300 0.81 MASP2 (0.47) MEN1KMT2AMALT1MASP2CYP2C19
SCHEMBL1431762 0.80 MASP2 (0.43) MALT1MASP2
SCHEMBL1431704 0.80 MASP2 (0.43) MALT1MASP2
SCHEMBL1432197 0.80 F2 (0.40) F2MEN1KMT2AMASP2BCHE

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-2300428-A1 AMINOPYRIDINE DERIVATIVES Vantia Limited (GB) 2011-03-30 — — EP disclosed
WO-2009133348-A1 AMINOPYRIDINE DERIVATIVES VANTIA LIMITED (GB) 2009-11-05 — — WO disclosed
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