SCHEMBL9730650

SCHEMBL9730650

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 4/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
PRKDC P78527 1/20 0.43
FAAH O00519 5/20 0.39
ADRB1 P08588 1/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
ALOX12 P18054 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CDK1 P06493 1/20 0.37
CDK2 P24941 1/20 0.37
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL9730654 0.86 PIK3CD (0.46) TDP1KDM4EALDH1A1PIK3CDPIK3CA
SCHEMBL15093843 0.83 ALDH1A1 (0.59) TDP1KDM4EALDH1A1PIK3CDPIK3CA
SCHEMBL23932966 0.82 ALDH1A1 (0.58) TDP1KDM4EALDH1A1PIK3CDPIK3CA
SCHEMBL9732398 0.80 KDM4E (0.48) TDP1KDM4EALDH1A1FAAHMAPT
SCHEMBL4943552 0.79 ADRB1 (0.65) TDP1ALDH1A1PIK3CDPIK3CAPIK3CB
SCHEMBL6237204 0.79 PRKDC (0.68) TDP1ALDH1A1PIK3CDPIK3CAPIK3CB
Hydrochloric Acid SCHEMBL11481867 0.78 ADRB1 (0.63) TDP1ALDH1A1PIK3CDPIK3CAPIK3CB
SCHEMBL844545 0.76 BCL2A1 (0.49) TDP1KDM4EALDH1A1PIK3CDPIK3CA
SCHEMBL31319994 0.74 KDM4E (0.46) KDM4EALDH1A1FAAHADRB1MAPT
SCHEMBL3823637 0.74 KDM4E (0.58) KDM4EALDH1A1FAAHMAPTSMN1; SMN2

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