SCHEMBL4796833

SCHEMBL4796833

O=C(O)N1CCC(n2c(=O)n(S(=O)(=O)c3cccs3)c3ccccc32)C[C@@H]1CCCN(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.41
▸ MAPT P10636 3/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.38
▸ ALDH1A1 P00352 6/20 0.37
▸ TSHR P16473 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ RECQL P46063 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ CCR5 P51681 2/20 0.34
▸ LMNA P02545 1/20 0.33

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
SCHEMBL3669383 0.93 CYP3A4 (0.37) POLBMAPTCYP3A4CYP2C9CYP2C19
SCHEMBL3665336 0.89 CHRM5 (0.36) TSHR
SCHEMBL3665332 0.86 POLB (0.35) POLBALDH1A1SMN1; SMN2
SCHEMBL4796847 0.85 POLB (0.41) POLBMAPTCYP3A4CYP2C9CYP2C19
SCHEMBL4796839 0.85 POLB (0.41) POLBMAPTCYP3A4CYP2C9CYP2C19
SCHEMBL3665443 0.85 RXFP1 (0.36) ALDH1A1
SCHEMBL3808537 0.81 CACNA1G (0.34) CYP3A4PKM
SCHEMBL4675598 0.81 CYP3A4 (0.40) CYP3A4
SCHEMBL3668869 0.81 BCHE (0.33) POLBALDH1A1
SCHEMBL3667342 0.80 CHRM1 (0.34) MAPTCYP3A4CYP2C19TDP1ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1997805-A1 Compounds with antiparasitic activity, applications thereof to the treatment of infectious diseases caused by apicomplexans Commissariat à l'Energie Atomique (FR) 2008-12-03 — — EP disclosed
Send feedback