SCHEMBL3260086

SCHEMBL3260086

Cn1ccc(S(=O)(=O)N(Cc2ccccc2)c2cccc(N3CCCC3=O)c2)n1.Cn1ccc(S(=O)(=O)O)n1.O=C1CCCN1c1cccc(NCc2ccc(Cl)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 1/20 0.39
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
CNR2 P34972 1/20 0.36
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GFER P55789 2/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 3/20 0.35
GAA P10253 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ATM Q13315 1/20 0.35
HTR1A P08908 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR7 P34969 1/20 0.35
DRD3 P35462 1/20 0.35
HTR6 P50406 1/20 0.35

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
SCHEMBL1976194 0.91 CNR2 (0.39) TSHRLMNAHPGDNPC1RAB9A
SCHEMBL3260082 0.89 LMNA (0.50) TSHRLMNAHPGDNPC1RAB9A
SCHEMBL3261430 0.86 HTR2C (0.40) TSHRLMNAHPGDCNR2SMN1; SMN2
SCHEMBL1989680 0.86 HTR2C (0.37) LMNANPC1CNR2MAPTSMN1; SMN2
SCHEMBL3275051 0.85 HTR2C (0.45) TSHRHPGDNPC1RAB9ACNR2
SCHEMBL315878 0.81 NTRK1 (0.33) TSHRLMNAHPGDNPC1RAB9A
SCHEMBL3261428 0.76 MAPK1 (0.41) LMNACNR2SMN1; SMN2ALDH1A1HTR1A
SCHEMBL304191 0.74 LMNA (0.37) LMNAHPGDRAB9AMAPTSMN1; SMN2
SCHEMBL3230248 0.74 LMNA (0.57) TSHRLMNAHPGDNPC1RAB9A
SCHEMBL1966848 0.73 HTR2C (0.49) LMNACNR2SMN1; SMN2HTR1AHTR2A

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
WO-2010023446-A1 NOVEL POTASSIUM CHANNEL BLOCKERS XENTION LIMITED (GB) 2010-03-04 WO disclosed