SCHEMBL27733288

SCHEMBL27733288

O=C(CC(Nc1ccc(Cl)cc1)c1ccccc1)Nc1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 4/20 0.57
▸ FNTB P49356 4/20 0.57
▸ KMT2A Q03164 7/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ MEN1 O00255 6/20 0.53
▸ MAPT P10636 5/20 0.52
▸ LMNA P02545 4/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ GAA P10253 3/20 0.52
▸ TP53 P04637 2/20 0.52
▸ XBP1 P17861 1/20 0.52
▸ CASR P41180 1/20 0.51
▸ ALDH1A1 P00352 4/20 0.50
▸ NPSR1 Q6W5P4 3/20 0.49
▸ HPGD P15428 2/20 0.49
▸ POLB P06746 2/20 0.48
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47

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
SCHEMBL27818037 0.99 FNTA (0.56) FNTAFNTBKMT2ANPC1RAB9A
SCHEMBL27733289 0.93 KMT2A (0.53) FNTAFNTBKMT2ANPC1RAB9A
SCHEMBL27733287 0.91 FNTA (0.51) FNTAFNTBKMT2ANPC1RAB9A
SCHEMBL27818040 0.89 MEN1 (0.56) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL27713011 0.89 MEN1 (0.57) FNTAFNTBKMT2ANPC1RAB9A
SCHEMBL24968752 0.81 KMT2A (0.51) FNTAFNTBKMT2ANPC1RAB9A
SCHEMBL10952833 0.78 HTT (0.58) FNTAFNTBKMT2ANPC1RAB9A
SCHEMBL29157130 0.78 CTSA (0.52) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL27712868 0.78 KMT2A (0.56) FNTAFNTBKMT2ANPC1RAB9A
SCHEMBL27979447 0.78 MAPT (0.50) KMT2AMEN1MAPTLMNASMN1; SMN2

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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