SCHEMBL1431973

SCHEMBL1431973

CCN1CCCC1C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NCc1ccc(N)nc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ AADAT Q8N5Z0 2/20 0.39
▸ PPIB P23284 1/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ MASP2 O00187 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ F2 P00734 2/20 0.38
▸ TACR1 P25103 1/20 0.37
▸ ITGB1 P05556 1/20 0.37
▸ ITGA4 P13612 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
SCHEMBL1432980 1.00 MEN1 (0.47) MEN1KMT2AAADATPPIBNAMPT
SCHEMBL1432146 0.93 MEN1 (0.46) MEN1KMT2AAADATPPIBNAMPT
SCHEMBL1432630 0.92 DPP4 (0.39) MEN1KMT2APPIBMASP2ALDH1A1
SCHEMBL1431769 0.92 DPP4 (0.39) MEN1KMT2APPIBMASP2ALDH1A1
SCHEMBL1432532 0.90 MEN1 (0.48) MEN1KMT2AAADATPPIBNAMPT
SCHEMBL1431814 0.90 MEN1 (0.48) MEN1KMT2AAADATPPIBNAMPT
SCHEMBL1432069 0.88 MEN1 (0.49) MEN1KMT2AAADATPPIBNAMPT
SCHEMBL1433193 0.87 MEN1 (0.47) MEN1KMT2APPIBNAMPTMASP2
SCHEMBL1432347 0.87 MEN1 (0.47) MEN1KMT2APPIBNAMPTMASP2
SCHEMBL1432743 0.87 ALDH1A1 (0.39) MEN1KMT2APPIBMASP2ALDH1A1

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