SCHEMBL1433063

SCHEMBL1433063

Nc1ccc(CNC(=O)[C@H](Cc2ccc(F)c(F)c2)NC(=O)[C@H]2CCCN2Cc2ccccc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 3/20 0.44
▸ HDAC2 Q92769 3/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ F2 P00734 2/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ XIAP P98170 1/20 0.42
▸ ITGB1 P05556 1/20 0.41
▸ ITGA4 P13612 1/20 0.41
▸ MASP2 O00187 2/20 0.40
▸ KLKB1 P03952 1/20 0.40
▸ SPHK1 Q9NYA1 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CCR4 P51679 1/20 0.40
▸ DPP4 P27487 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ TACR1 P25103 1/20 0.39

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
SCHEMBL1432028 0.94 HDAC1 (0.40) HDAC1HDAC2HDAC3F2MEN1
SCHEMBL1432334 0.94 F2 (0.46) HDAC1HDAC2HDAC3F2MEN1
SCHEMBL1432083 0.91 TACR1 (0.47) HDAC1HDAC2HDAC3F2XIAP
SCHEMBL1432037 0.91 TACR1 (0.47) HDAC1HDAC2HDAC3F2XIAP
SCHEMBL3150073 0.91 MASP2 (0.40) F2MEN1KMT2AXIAPMASP2
SCHEMBL1431769 0.90 DPP4 (0.39) F2MEN1KMT2AXIAPMASP2
SCHEMBL1432630 0.90 DPP4 (0.39) F2MEN1KMT2AXIAPMASP2
SCHEMBL1432209 0.89 F2 (0.42) F2MEN1KMT2AXIAPMASP2
SCHEMBL1432780 0.89 F2 (0.42) F2MEN1KMT2AXIAPMASP2
SCHEMBL1432074 0.88 DPP4 (0.38) F2MEN1KMT2AXIAPMASP2

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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