SCHEMBL8570504

SCHEMBL8570504

COc1ccc(NS(=O)(=O)c2ccccc2)cc1C(=O)CCCCCl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.52
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
GPR27 Q9NS67 2/20 0.47
AVPR2 P30518 1/20 0.47
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
KDM1A O60341 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL8574479 0.90 ALDH1A1 (0.52) LMNAL3MBTL1ALDH1A1GAAHTR2A
SCHEMBL8572431 0.89 LMNA (0.61) LMNAL3MBTL1ALDH1A1GAAALOX15
SCHEMBL8574314 0.85 HTR2C (0.60) ALDH1A1HTR2AHTR2CHTR2BALOX15
SCHEMBL8573946 0.82 HDAC8 (0.40) LMNAL3MBTL1ALDH1A1GAAHTR2A
SCHEMBL8567801 0.80 KCNK3 (0.55) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8604235 0.80 FABP4 (0.37) HTR6LMNAL3MBTL1ALDH1A1GAA
SCHEMBL8575779 0.78 HSD11B1 (0.46) ALDH1A1HTR2AHTR2CHTR2BMAPK1
SCHEMBL8574070 0.78 ALDH1A1 (0.51) LMNAL3MBTL1ALDH1A1MAPK1HTT
SCHEMBL8567723 0.77 HTR2C (0.62) ALDH1A1HTR2AHTR2CHTR2BALOX15
SCHEMBL8569681 0.77 HTR2A (0.56) ALDH1A1HTR2AHTR2CHTR2BMEN1

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-5739336-A SELECTIVE 5-HYDROXYTRYPTAMINE-2C RECEPTOR ANTAGONISTS SYNTEX (U.S.A.) INC. (US) 1998-04-14 US disclosed
WO-1997000872-A1 1,3,8-TRIAZA- AND 3,8-DIAZA-1-OXASPIRO(4,5)DECANE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 1997-01-09 WO disclosed