SCHEMBL9974129

SCHEMBL9974129

O=C(Cn1ccc2cccc(CCl)c21)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
MAPT P10636 3/20 0.60
KDM4E B2RXH2 1/20 0.60
HPGD P15428 1/20 0.60
SCN3A Q9NY46 3/20 0.55
FGB P02675 1/20 0.55
LMNA P02545 2/20 0.54
TSHR P16473 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
PKM P14618 3/20 0.53
TDP1 Q9NUW8 3/20 0.52
RECQL P46063 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SCN5A Q14524 1/20 0.51
SCN9A Q15858 1/20 0.51
HCRTR1 O43613 1/20 0.49
USP2 O75604 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL15116313 0.92 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL9974116 0.90 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL9974127 0.88 MEN1 (0.61) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL9974087 0.88 MEN1 (0.61) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL9974102 0.85 MEN1 (0.59) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL1091775 0.85 SCN3A (0.64) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL9972277 0.81 LMNA (0.59) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL9974111 0.80 LMNA (0.57) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL12522877 0.80 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL9972245 0.80 MAPT (0.60) ALDH1A1MEN1KMT2AMAPTKDM4E

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
US-8309543-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 US disclosed
US-8202861-B2 Drugs for various disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-19 US disclosed