SCHEMBL6500224

SCHEMBL6500224

COc1cc2c(cc1S(=O)(=O)c1ccc(N3CCN(c4ccccc4F)CC3)cc1)CCN(C)CC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
LMNA P02545 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
TP53 P04637 4/20 0.50
TSHR P16473 2/20 0.50
HTT P42858 1/20 0.50
HSD17B10 Q99714 1/20 0.50
POLB P06746 3/20 0.45
MAPK1 P28482 1/20 0.44
HTR6 P50406 2/20 0.44
HTR1A P08908 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
HTR2C P28335 1/20 0.44
MAPT P10636 2/20 0.44
HTR7 P34969 1/20 0.42
HSD11B1 P28845 1/20 0.42
USP2 O75604 1/20 0.42
PKM P14618 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL6511504 0.91 DRD2 (0.52) ALDH1A1LMNASMN1; SMN2TP53TSHR
SCHEMBL6500166 0.89 HTR1A (0.43) LMNATP53TSHRHTTHSD17B10
SCHEMBL6506073 0.89 LMNA (0.44) ALDH1A1LMNASMN1; SMN2TP53TSHR
SCHEMBL6502583 0.88 LMNA (0.48) ALDH1A1LMNATSHRHTTPOLB
SCHEMBL6509242 0.87 MAOB (0.54) LMNATSHRHTR6HTR1AHTR1D
Hydrochloric Acid SCHEMBL6504357 0.86 MAOB (0.53) LMNATSHRHTR6HTR1AHTR1D
SCHEMBL6501982 0.84 DRD2 (0.47) ALDH1A1LMNASMN1; SMN2TP53TSHR
SCHEMBL6500880 0.84 LMNA (0.51) ALDH1A1LMNASMN1; SMN2TSHRHTT
SCHEMBL6510748 0.84 HTR6 (0.46) ALDH1A1HSD17B10POLBMAPK1HTR6
SCHEMBL6504564 0.83 HTR6 (0.54) LMNATSHRHTR6HTR1AHTR1D

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
WO-2005014578-A1 PHENYLSULFONYL COMPOUNDS AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2005-02-17 WO claimed
WO-2005014578-A1 PHENYLSULFONYL COMPOUNDS AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2005-02-17 WO disclosed