SCHEMBL1433004

SCHEMBL1433004

COc1ccc(C[C@H](NC(=O)C2CCCN2C)C(=O)NCc2ccc(N)nc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPIB P23284 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ KLKB1 P03952 3/20 0.41
▸ PKM P14618 1/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ MMP1 P03956 2/20 0.40
▸ KLK1 P06870 1/20 0.40
▸ CTSL P07711 1/20 0.39
▸ CTSS P25774 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CYP2C19 P33261 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) PPIBTSHRMEN1KMT2AALDH1A1
SCHEMBL1432824 0.91 MASP2 (0.41) PPIBMEN1KMT2AKLKB1PKM
SCHEMBL1432532 0.90 MEN1 (0.48) PPIBMEN1KMT2AALDH1A1MASP2
SCHEMBL1431814 0.90 MEN1 (0.48) PPIBMEN1KMT2AALDH1A1MASP2
SCHEMBL1432571 0.90 LCK (0.41) PPIBMEN1KMT2AMASP2
SCHEMBL1433193 0.87 MEN1 (0.47) PPIBTSHRMEN1KMT2AMASP2
SCHEMBL1432347 0.87 MEN1 (0.47) PPIBTSHRMEN1KMT2AMASP2
SCHEMBL1432690 0.86 TLR2 (0.42) PPIBMEN1KMT2AOPRM1OPRD1
SCHEMBL1432180 0.86 DPP4 (0.40) PPIBMEN1KMT2AALDH1A1KLKB1
SCHEMBL1432452 0.86 TLR2 (0.42) PPIBMEN1KMT2AOPRM1OPRD1

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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