SCHEMBL27712867

SCHEMBL27712867

NCc1ccc(NC(=O)CC(Nc2ccc(Cl)cc2)c2cccs2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.48
▸ POLB P06746 3/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ TP53 P04637 2/20 0.48
▸ NPC1 O15118 4/20 0.46
▸ RAB9A P51151 4/20 0.46
▸ LMNA P02545 5/20 0.42
▸ HTT P42858 4/20 0.42
▸ KLKB1 P03952 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 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
SCHEMBL27712868 0.92 KMT2A (0.56) MAPTPOLBKDM4EKMT2AMEN1
SCHEMBL27712950 0.86 KMT2A (0.50) MAPTPOLBKDM4EKMT2AMEN1
SCHEMBL27733287 0.81 FNTA (0.51) MAPTPOLBKMT2AMEN1SMN1; SMN2
SCHEMBL27809585 0.79 KMT2A (0.39) MAPTPOLBKDM4EKMT2AMEN1
SCHEMBL27733288 0.72 FNTA (0.57) MAPTPOLBKDM4EKMT2AMEN1
SCHEMBL27966202 0.71 MEN1 (0.71) MAPTPOLBKDM4EKMT2AMEN1
SCHEMBL27818037 0.71 FNTA (0.56) MAPTPOLBKMT2AMEN1SMN1; SMN2
SCHEMBL4167790 0.69 CNR1 (0.60) MAPTPOLBKMT2AMEN1SMN1; SMN2
SCHEMBL27809584 0.69 HTR1A (0.40) MAPTPOLBKDM4EKMT2AMEN1
SCHEMBL28784460 0.67 SMN1; SMN2 (0.36) MAPTKMT2AMEN1SMN1; SMN2TP53

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
CN-101250134-B N-aryl-beta-aryl amidine-propionamide compounds, preparation method and use thereof UNIV SICHUAN 2011-07-20 — — CN claimed
CN-101250134-A N-aryl-beta-aryl amidine-propionamide compounds, preparation method and use thereof UNIV SICHUAN (CN) 2008-08-27 — — CN claimed
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