SCHEMBL9699072

SCHEMBL9699072

Cc1ccc(S(=O)(=O)OCC2CN(S(C)(=O)=O)c3ccccc3O2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
ALDH1A1 P00352 5/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
TSHR P16473 2/20 0.43
MAPT P10636 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
P2RX4 Q99571 1/20 0.40
CA2 P00918 1/20 0.39
THRB P10828 1/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
GRM2 Q14416 1/20 0.37
TDP1 Q9NUW8 1/20 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
SCHEMBL730472 0.86 PTGIR (0.46) LMNAALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL6978072 0.84 LMNA (0.44) LMNAALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL6978928 0.84 LMNA (0.44) LMNAALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL6967825 0.83 GRM2 (0.54) LMNAALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL12695869 0.82 MAPT (0.48) LMNAALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL6979029 0.82 LMNA (0.43) LMNAALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL6971596 0.81 LMNA (0.42) LMNAALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL6970468 0.81 SIRT1 (0.47) LMNAALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL9699068 0.81 LMNA (0.43) LMNAALDH1A1MAPTSMN1; SMN2P2RX4
SCHEMBL18760618 0.80 MAPT (0.39) LMNAALDH1A1CYP3A4CYP2D6TSHR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5112820-A Vision defects STERLING DRUG INC. (US) 1992-05-12 US disclosed
US-5109135-A 2- or 3-aminomethyl-4-amino-3,4-dihydro-2H-1,4-benzoxazine intermediates STERLING DRUG INC. (US) 1992-04-28 US disclosed
US-5066803-A Chemical intermediates for analgesics STERLING DRUG INC. (US) 1991-11-19 US disclosed
WO-1990007505-A1 2- AND 3-AMINOMETHYL-6-ARYLCARBONYL-2,3-DIHYDROPYRROLO[1,2,3-de]-1,4-BENZOXAZINES STERLING DRUG INC. (US) 1990-07-12 WO disclosed
US-4939138-A 2- and 3-aminomethyl-6-arylcarbonyl-2,3-dihydropyrrolo(1,2,3-DE)-1,4-benzoxazines STERLING DRUG INC. (US) 1990-07-03 US disclosed