SCHEMBL27712868

SCHEMBL27712868

O=C(CC(Nc1ccc(Cl)cc1)c1cccs1)Nc1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.56
▸ MEN1 O00255 3/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ MAPT P10636 6/20 0.53
▸ TP53 P04637 1/20 0.53
▸ NPC1 O15118 6/20 0.52
▸ RAB9A P51151 6/20 0.52
▸ KDM4E B2RXH2 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ LMNA P02545 4/20 0.49
▸ HTT P42858 4/20 0.49
▸ TSHR P16473 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ CASP3 P42574 1/20 0.43
▸ CASP2 P42575 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ FNTA P49354 1/20 0.42
▸ FNTB P49356 1/20 0.42

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
SCHEMBL27712950 0.94 KMT2A (0.50) KMT2AMEN1SMN1; SMN2MAPTTP53
SCHEMBL27712867 0.92 MAPT (0.48) KMT2AMEN1SMN1; SMN2MAPTTP53
SCHEMBL27733288 0.78 FNTA (0.57) KMT2AMEN1SMN1; SMN2MAPTTP53
SCHEMBL27818037 0.77 FNTA (0.56) KMT2AMEN1SMN1; SMN2MAPTTP53
SCHEMBL27809584 0.75 HTR1A (0.40) KMT2AMEN1SMN1; SMN2MAPTTP53
SCHEMBL27733289 0.73 KMT2A (0.53) KMT2AMEN1SMN1; SMN2MAPTTP53
SCHEMBL27733287 0.71 FNTA (0.51) KMT2AMEN1SMN1; SMN2MAPTTP53
SCHEMBL27809586 0.70 TDP1 (0.40) KMT2AMEN1SMN1; SMN2MAPTTP53
SCHEMBL27713011 0.69 MEN1 (0.57) KMT2AMEN1SMN1; SMN2MAPTNPC1
SCHEMBL12197936 0.69 PTPN1 (0.73) KMT2AMEN1SMN1; SMN2MAPTNPC1

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
Send feedback