SCHEMBL9718261

SCHEMBL9718261

O=S(=O)(c1ccc(O)c2ccccc12)c1ccc(Cl)c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.59
DNMT1 P26358 2/20 0.49
ALPL P05186 1/20 0.49
ALPI P09923 1/20 0.49
ALPG P10696 1/20 0.49
MCL1 Q07820 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
IDO1 P14902 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2A6 P11509 1/20 0.46
POLB P06746 1/20 0.46
CDK2 P24941 1/20 0.46
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
FABP4 P15090 1/20 0.43
WDR5 P61964 1/20 0.43
HKDC1 Q2TB90 2/20 0.42

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
SCHEMBL10925668 0.89 CYP1A2 (0.59) LDHADNMT1ALPLALPIALPG
SCHEMBL7085229 0.89 LDHA (0.73) LDHADNMT1ALPLALPIALPG
SCHEMBL3935 0.82 IDO1 (0.68) LDHATDP1IDO1CYP1A2CYP2A6
SCHEMBL7196563 0.81 LDHA (0.63) LDHADNMT1ALPLALPIALPG
Hydrogen Peroxide SCHEMBL9131999 0.80 IDO1 (0.65) LDHATDP1IDO1CYP1A2CYP2A6
SCHEMBL8509341 0.79 POLB (0.45) DNMT1ALPLALPIALPGMCL1
Methyl Alcohol SCHEMBL27450925 0.78 IDO1 (0.62) LDHATDP1IDO1CYP1A2CYP2A6
SCHEMBL10693393 0.78 LDHA (0.63) LDHADNMT1ALPLALPIALPG
SCHEMBL17441666 0.77 LDHA (0.62) LDHAMCL1CYP1A2CYP2A6POLB
SCHEMBL7203155 0.77 LDHA (0.68) LDHADNMT1ALPLALPIALPG

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-5091480-A Comb-like polymers and graft copolymers from polyarylene polyether macromonomers THE B. F. GOODRICH COMPANY (US) 1992-02-25 US disclosed