SCHEMBL27733289

SCHEMBL27733289

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.53
▸ MEN1 O00255 5/20 0.53
▸ LMNA P02545 4/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ CRHBP P24387 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ CRHR2 Q13324 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ FNTA P49354 5/20 0.52
▸ FNTB P49356 5/20 0.52
▸ KLK7 P49862 3/20 0.52
▸ MAPT P10636 3/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ TP53 P04637 2/20 0.50
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48

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
SCHEMBL27733288 0.93 FNTA (0.57) KMT2AMEN1LMNACYP1A2CYP3A4
SCHEMBL27818037 0.92 FNTA (0.56) KMT2AMEN1LMNANPSR1FNTA
SCHEMBL27733287 0.85 FNTA (0.51) KMT2AMEN1LMNAFNTAFNTB
SCHEMBL27818040 0.83 MEN1 (0.56) KMT2AMEN1LMNAHTTKLK7
SCHEMBL27713011 0.83 MEN1 (0.57) KMT2AMEN1LMNACYP1A2CYP3A4
SCHEMBL10954976 0.81 LMNA (0.68) KMT2AMEN1LMNACYP1A2CYP3A4
SCHEMBL27712950 0.81 KMT2A (0.50) KMT2AMEN1LMNAHTTNPSR1
SCHEMBL13674804 0.78 DCAF1 (0.51) KMT2AMEN1LMNACYP1A2CYP3A4
SCHEMBL24968752 0.76 KMT2A (0.51) KMT2AMEN1LMNACYP1A2CYP3A4
SCHEMBL10952833 0.73 HTT (0.58) KMT2AMEN1LMNACYP1A2CYP3A4

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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