SCHEMBL1431672

SCHEMBL1431672

COc1cccc(C[C@H](NC(=O)[C@H]2CCCN2C(C)C)C(=O)NCc2ccc(N)nc2)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.42
▸ PPIB P23284 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ KLKB1 P03952 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ MASP2 O00187 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ HRH3 Q9Y5N1 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
SCHEMBL1432148 0.92 KMT2A (0.43) KMT2APPIBTSHRKLKB1ALDH1A1
SCHEMBL1433005 0.89 CTSV (0.47) KMT2AMASP2
SCHEMBL1431634 0.87 MEN1 (0.41) KMT2APPIBKLKB1ALDH1A1MEN1
SCHEMBL1432518 0.87 MEN1 (0.41) KMT2APPIBKLKB1ALDH1A1MEN1
SCHEMBL1432215 0.86 TACR1 (0.45) MASP2HRH3
SCHEMBL1431881 0.86 MASP2 (0.41) KMT2APPIBMEN1MASP2CYP3A4
SCHEMBL1432069 0.85 MEN1 (0.49) KMT2APPIBALDH1A1MEN1MASP2
SCHEMBL1432054 0.84 MEN1 (0.40) KMT2APPIBKLKB1ALDH1A1MEN1
SCHEMBL1433004 0.83 PPIB (0.43) KMT2APPIBTSHRKLKB1ALDH1A1
SCHEMBL1432145 0.83 TACR1 (0.46) PPIBMASP2

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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