SCHEMBL8105852

SCHEMBL8105852

COc1cc(C)cc2nc(S(=O)(=O)Cl)nn12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA13 Q8N1Q1 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL7856306 0.84 CA12 (0.35) CA12CA1CA2CA3CA4
SCHEMBL7842296 0.81 PIK3CG (0.39) SMN1; SMN2KDM4ENPC1ALDH1A1RAB9A
SCHEMBL7849728 0.80 NUDT1 (0.33)
SCHEMBL7850649 0.79 TSHR (0.41) SMN1; SMN2TSHR
SCHEMBL10490335 0.78 ALDH1A1 (0.45) CA12CA1CA2CA3CA4
SCHEMBL7850191 0.77 FFAR4 (0.40) SMN1; SMN2ALDH1A1TSHR
SCHEMBL8825666 0.77 CA12 (0.31) CA12CA1CA2CA3CA4
SCHEMBL7849670 0.76 GAA (0.44) SMN1; SMN2LMNATSHR
SCHEMBL8025547 0.76 KDM4E (0.35) SMN1; SMN2LMNAKDM4ENPC1ALDH1A1
SCHEMBL8902874 0.76 SMN1; SMN2 (0.41) SMN1; SMN2LMNAKDM4ENPC1ALDH1A1

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
EP-0888297-B1 N-ARYLSULFILIMINE COMPOUNDS AND THEIR USE AS CATALYSTS IN THE PREPARATION OF N-ARYLARYLSULFONAMIDE COMPOUNDS DOW AGROSCIENCES LLC (US) 2000-08-30 EP claimed
US-5973148-A N-arylsulfilimine compounds and their use as catalysts in the preparation of N-arylarylsulfonamide compounds DOW AGROSCIENCES LLC (US) 1999-10-26 US claimed
US-6114580-A N-arylsulfilimine compounds and their use as catalysts in the preparation of N-arylarylsulfonamide compounds DOW AGROSCIENCES LLC (US) 2000-09-05 US disclosed
EP-0888297-B1 N-ARYLSULFILIMINE COMPOUNDS AND THEIR USE AS CATALYSTS IN THE PREPARATION OF N-ARYLARYLSULFONAMIDE COMPOUNDS DOW AGROSCIENCES LLC (US) 2000-08-30 EP disclosed
US-5973148-A N-arylsulfilimine compounds and their use as catalysts in the preparation of N-arylarylsulfonamide compounds DOW AGROSCIENCES LLC (US) 1999-10-26 US disclosed