SCHEMBL1713199

SCHEMBL1713199

COc1ccc(C2CCCN2C(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)c(OC)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.57
KMT2A Q03164 6/20 0.57
ALDH1A1 P00352 4/20 0.57
MAPK1 P28482 2/20 0.57
POLB P06746 2/20 0.57
MAPT P10636 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
HCRTR1 O43613 1/20 0.49
RAB9A P51151 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
SCHEMBL1712735 0.94 ALDH1A1 (0.57) MEN1KMT2AALDH1A1MAPK1POLB
SCHEMBL1713488 0.79 ALDH1A1 (0.62) MEN1KMT2AALDH1A1MAPK1POLB
SCHEMBL1713056 0.74 MAPK1 (0.67) MEN1KMT2AALDH1A1MAPK1POLB
SCHEMBL1713223 0.73 MAPK1 (0.63) MEN1KMT2AALDH1A1MAPK1POLB
SCHEMBL7829590 0.73 ALDH1A1 (0.52) ALDH1A1POLBCYP2C19SMN1; SMN2
SCHEMBL1713300 0.72 ALDH1A1 (0.56) MEN1KMT2AALDH1A1MAPK1POLB
SCHEMBL7832350 0.72 ALDH1A1 (0.53) MEN1KMT2AALDH1A1POLBCYP2C19
SCHEMBL5244127 0.72 MEN1 (0.72) MEN1KMT2AALDH1A1MAPK1POLB
SCHEMBL5282637 0.72 MEN1 (0.72) MEN1KMT2AALDH1A1MAPK1POLB
SCHEMBL5243826 0.72 MEN1 (0.72) MEN1KMT2AALDH1A1MAPK1POLB

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-2252587-B1 PIPERIDINE SULFONAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-07-20 EP claimed
EP-2252587-B1 PIPERIDINE SULFONAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-07-20 EP disclosed