SCHEMBL9730654

SCHEMBL9730654

O=Cc1ccc(N2CCS(O)(O)CC2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
PIK3CG P48736 1/20 0.46
PRKDC P78527 1/20 0.46
TDP1 Q9NUW8 2/20 0.43
ALDH1A1 P00352 5/20 0.42
ADRB1 P08588 1/20 0.38
MAPT P10636 7/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
GFER P55789 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 1/20 0.37
ALOX12 P18054 1/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 2/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 3/20 0.36

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
SCHEMBL9730650 0.86 TDP1 (0.44) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL15093843 0.82 ALDH1A1 (0.59) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL23932966 0.81 ALDH1A1 (0.58) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL4943552 0.78 ADRB1 (0.65) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL6237204 0.78 PRKDC (0.68) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
Hydrochloric Acid SCHEMBL11481867 0.77 ADRB1 (0.63) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL844545 0.75 BCL2A1 (0.49) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL15774103 0.72 RAB9A (0.68) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL22368357 0.72 NR1H2 (0.43) ALDH1A1MAPTSMN1; SMN2GFERMEN1
SCHEMBL5754936 0.72 MAPT (0.74) ALDH1A1MAPTSMN1; SMN2GFERLMNA

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
US-5091501-A Process for preparing 2H-1-benzopyran-2-ones and polyesters containing 2H-1-benzopyran-2-one residues EASTMAN KODAK COMPANY (US) 1992-02-25 US disclosed