SCHEMBL3726385

SCHEMBL3726385

O=C(O)N1CC[C@H](N(c2ccccc2)S(=O)(=O)c2ccc(-c3ccccc3)cc2)CC1CCCN(Cc1ccccc1)Cc1ccccc1.O=C(O)N1CC[C@H](N(c2ccccc2)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1CCCN(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ CACNA1B Q00975 8/20 0.38
▸ NR1I2 O75469 3/20 0.37
▸ CA12 O43570 2/20 0.37
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA4 P22748 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ UBE2M P61081 3/20 0.37
▸ DCUN1D1 Q96GG9 3/20 0.37
▸ SERPINE1 P05121 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HTT P42858 1/20 0.36

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
SCHEMBL3723935 0.85 MCL1 (0.39) —
SCHEMBL3724780 0.80 TAS2R14 (0.44) NPSR1
SCHEMBL4783965 0.79 CHRM2 (0.44) MEN1KMT2ACA12CA1CA2
SCHEMBL3722537 0.77 OPRM1 (0.39) CA12CA1CA2CA4CA9
SCHEMBL3724470 0.74 HTR2A (0.37) KMT2A
SCHEMBL3725056 0.74 HSD11B1 (0.42) MEN1KMT2ANPSR1HTT
SCHEMBL3806319 0.71 CHRM5 (0.36) MEN1KMT2A
SCHEMBL3808654 0.70 OPRM1 (0.41) KMT2A
SCHEMBL3727160 0.70 RORC (0.38) NPSR1
SCHEMBL13985631 0.69 MMP8 (0.43) MEN1KMT2AHTT

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
EP-2155676-A2 COMPOUNDS WITH ANTIPARASITIC ACTIVITY, APPLICATIONS THEREOF TO THE TREATMENT OF INFECTIOUS DISEASES CAUSED BY APICOMPLEXANS Commissariat à l'Energie Atomique (FR) 2010-02-24 — — EP disclosed
WO-2008146172-A2 COMPOUNDS WITH ANTIPARASITIC ACTIVITY, APPLICATIONS THEREOF TO THE TREATMENT OF INFECTIOUS DISEASES CAUSED BY APICOMPLEXANS COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2008-12-04 — — WO disclosed
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