SCHEMBL8417302

SCHEMBL8417302

COC(=O)CCCc1ccc(C(CCCC(F)(F)C(F)(F)F)NS(=O)(=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
POLB P06746 2/20 0.46
MMP2 P08253 2/20 0.43
MMP9 P14780 2/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
MMP14 P50281 1/20 0.43
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL8417505 0.93 ALDH1A1 (0.46) ALDH1A1POLBMMP2MMP9MMP8
SCHEMBL8417532 0.91 SIGMAR1 (0.40) ALDH1A1POLBMMP2MMP9MMP8
SCHEMBL8419454 0.91 UTS2R (0.44) ALDH1A1KMT2AMEN1
SCHEMBL8419633 0.90 SIGMAR1 (0.39) ALDH1A1POLBMMP2MMP9MMP8
SCHEMBL8421571 0.89 UTS2R (0.42) ALDH1A1KMT2AMEN1
SCHEMBL8419845 0.89 SIGMAR1 (0.40) ALDH1A1POLBMMP2MMP9MMP8
SCHEMBL8421357 0.88 MMP2 (0.38) ALDH1A1MMP2MMP9MMP13LMNA
SCHEMBL8419271 0.88 UTS2R (0.43) ALDH1A1KMT2AMEN1HDAC1
SCHEMBL8895359 0.87 HSD17B10 (0.49) ALDH1A1POLBMMP2MMP9MMP8
SCHEMBL8418072 0.86 SIGMAR1 (0.39) ALDH1A1POLBMMP2MMP9MMP8

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
EP-0943606-A1 BENZENESULFONAMIDE DERIVATIVES AND DRUGS CONTAINING THE SAME HOKURIKU SEIYAKU CO., LTD. (JP) 1999-09-22 EP disclosed