SCHEMBL15426723

SCHEMBL15426723

N#CC1=C(c2ccc(Cl)cc2)NC2=C(C(=O)OC2)C1c1cc2c(N)nccc2o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 6/20 0.44
▸ DRD5 P21918 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.32
▸ GAA P10253 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ BRDT Q58F21 1/20 0.32
▸ ABCC9 O60706 6/20 0.32
▸ KCNJ11 Q14654 6/20 0.32
▸ ABCC8 Q09428 5/20 0.32
▸ KCNJ8 Q15842 5/20 0.32

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
SCHEMBL14970104 1.00 MET (0.44) METDRD5HTR2CHTR6ALDH1A1
SCHEMBL14969968 0.85 MET (0.47) METALDH1A1GAAKDM4EGLA
SCHEMBL12649854 0.85 MET (0.47) METALDH1A1GAAKDM4EGLA
SCHEMBL12649767 0.84 MET (0.48) METALDH1A1GAAMEN1MAPT
SCHEMBL14956189 0.84 MET (0.48) METALDH1A1GAAMEN1MAPT
SCHEMBL12649898 0.80 MET (0.51) METDRD5HTR2CHTR6ALDH1A1
SCHEMBL1769243 0.76 MET (0.48) METALDH1A1GAAMEN1MAPT
SCHEMBL15426699 0.74 MET (0.51) METALDH1A1MEN1MAPTKMT2A
SCHEMBL562365 0.71 MET (0.49) METDRD5HTR2CHTR6ALDH1A1
SCHEMBL14970033 0.71 MET (0.46) METDRD5HTR2CHTR6ALDH1A1

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-2501700-B1 Furopyridinyl-substituted 1,4-dihydropyridine derivatives and methods of use thereof BAYER IP GMBH (DE) 2014-01-15 — — EP disclosed
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