SCHEMBL27712950

SCHEMBL27712950

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.50
▸ POLB P06746 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ MAPT P10636 6/20 0.49
▸ TP53 P04637 2/20 0.49
▸ RAB9A P51151 5/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ TDP1 Q9NUW8 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ LMNA P02545 4/20 0.44
▸ HTT P42858 4/20 0.44
▸ KLK7 P49862 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ NPSR1 Q6W5P4 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
SCHEMBL27712868 0.94 KMT2A (0.56) KMT2APOLBMEN1SMN1; SMN2MAPT
SCHEMBL27712867 0.86 MAPT (0.48) KMT2APOLBMEN1SMN1; SMN2MAPT
SCHEMBL27733289 0.81 KMT2A (0.53) KMT2AMEN1SMN1; SMN2MAPTTP53
SCHEMBL27809586 0.78 TDP1 (0.40) KMT2APOLBMEN1SMN1; SMN2MAPT
SCHEMBL27733288 0.73 FNTA (0.57) KMT2APOLBMEN1SMN1; SMN2MAPT
SCHEMBL27818037 0.72 FNTA (0.56) KMT2APOLBMEN1SMN1; SMN2MAPT
SCHEMBL10954976 0.72 LMNA (0.68) KMT2APOLBMEN1SMN1; SMN2MAPT
SCHEMBL27809584 0.70 HTR1A (0.40) KMT2APOLBMEN1SMN1; SMN2MAPT
SCHEMBL27733287 0.67 FNTA (0.51) KMT2APOLBMEN1SMN1; SMN2MAPT
SCHEMBL17119070 0.65 RAB9A (0.70) KMT2APOLBMEN1SMN1; SMN2MAPT

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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