SCHEMBL7115197

SCHEMBL7115197

O=S(=O)(NN1CCCCC1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
ATM Q13315 1/20 0.50
ALDH1A1 P00352 5/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HTT P42858 2/20 0.49
PHGDH O43175 1/20 0.47
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.45
KDM4E B2RXH2 2/20 0.45
THRB P10828 1/20 0.45
TSHR P16473 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GAA P10253 2/20 0.44

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
SCHEMBL3799154 1.00 LMNA (0.53) LMNAATMALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL11538425 0.98 ATM (0.53) LMNAATMALDH1A1MEN1KMT2A
SCHEMBL2084284 0.98 ATM (0.51) LMNAATMALDH1A1MEN1KMT2A
SCHEMBL2227656 0.81 PHGDH (0.71) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL9189792 0.81 PHGDH (0.49) LMNAALDH1A1MEN1KMT2APHGDH
SCHEMBL6801446 0.81 MAPT (0.55) ALDH1A1MEN1KMT2AL3MBTL1PHGDH
SCHEMBL7131545 0.81 PHGDH (0.49) LMNAALDH1A1KMT2AHTTPHGDH
SCHEMBL7362762 0.81 HTR6 (0.55) ALDH1A1HTTPHGDHCA1CA2
SCHEMBL6797104 0.79 POLB (0.54) ALDH1A1MEN1KMT2AL3MBTL1PHGDH
SCHEMBL1490842 0.79 PHGDH (0.46) LMNAATMALDH1A1MEN1KMT2A

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
CN-105693567-B A kind of method for preparing arylsulfinate 四川大学 2017-12-08 CN disclosed
WO-2004108094-A2 SULFONAMIDE-SUBSTITUTED CHALCONE DERIVATIVES AND THEIR USE TO TREAT DISEASES ATHEROGENICS, INC. (US) 2004-12-16 WO disclosed