SCHEMBL12601604

SCHEMBL12601604

CC(C)(C)S(=O)(=O)NCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 2/20 0.52
CA2 P00918 4/20 0.50
CYP19A1 P11511 1/20 0.50
CNR1 P21554 1/20 0.49
ALDH1A1 P00352 1/20 0.46
PPARA Q07869 1/20 0.45
SCN3A Q9NY46 1/20 0.45
KIF11 P52732 1/20 0.45
KMT2A Q03164 1/20 0.45
CA1 P00915 3/20 0.44
LSS P48449 1/20 0.43
NAMPT P43490 1/20 0.43

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
SCHEMBL13565330 0.84 SCN8A (0.48) NSD2CA2CA1
SCHEMBL30435065 0.84 KMT2A (0.54) NSD2CA2CYP19A1CNR1ALDH1A1
SCHEMBL13240436 0.81 KMT2A (0.56) CA2CYP19A1ALDH1A1KMT2A
SCHEMBL11935307 0.81 RORC (0.51) CA2PPARAKIF11CA1
SCHEMBL30605483 0.80 CA2 (0.59) NSD2CA2CYP19A1CNR1SCN3A
SCHEMBL11935291 0.80 FFAR1 (0.53) CA2PPARAKIF11CA1
SCHEMBL13900224 0.79 CA12 (0.61) CA2ALDH1A1KMT2ACA1
SCHEMBL10115242 0.79 HDAC3 (0.60) CA2KMT2ACA1LSS
SCHEMBL30958760 0.79 CA2 (0.62) NSD2CA2CYP19A1CNR1SCN3A
SCHEMBL13959213 0.77 CYP19A1 (0.63) NSD2CA2CYP19A1CNR1ALDH1A1

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-7943639-B2 Such as 6-benzenesulfonyl-4-piperazin-1-yl-quinoline hydrochloride; for treatment of central nervous system and/or 5- HT6 receptor related disorders; for weight gain/loss PROXIMAGEN LIMITED (GB) 2011-05-17 US disclosed
US-7943639-B2 Such as 6-benzenesulfonyl-4-piperazin-1-yl-quinoline hydrochloride; for treatment of central nervous system and/or 5- HT6 receptor related disorders; for weight gain/loss PROXIMAGEN LIMITED (GB) 2011-05-17 US disclosed