SCHEMBL7486509

SCHEMBL7486509

CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)ncn2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
KDM4E B2RXH2 2/20 0.61
LMNA P02545 1/20 0.61
HSD17B2 P37059 3/20 0.51
CCR9 P51686 4/20 0.50
FBP1 P09467 1/20 0.50
SCN9A Q15858 2/20 0.48
PIK3CD O00329 1/20 0.47
CYP2C19 P33261 2/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
UQCRB P14927 1/20 0.47

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
SCHEMBL4686846 0.82 CYP2C19 (0.51) ALDH1A1KDM4ELMNASCN9ACYP2C19
SCHEMBL8056340 0.81 ALDH1A1 (0.59) ALDH1A1KDM4ELMNAHSD17B2CCR9
SCHEMBL8058999 0.78 ALDH1A1 (0.55) ALDH1A1KDM4ELMNACCR9CYP2C19
SCHEMBL7838659 0.77 ALDH1A1 (0.55) ALDH1A1KDM4ELMNAHSD17B2CCR9
SCHEMBL7486731 0.76 EDNRA (0.56) ALDH1A1KDM4ELMNACCR9CYP2C19
SCHEMBL16863131 0.76 POLB (0.67) ALDH1A1KDM4ELMNAHSD17B2CCR9
SCHEMBL14098841 0.72 ALDH1A1 (0.54) ALDH1A1KDM4ELMNAHSD17B2CCR9
SCHEMBL18354995 0.72 KDM4E (1.00) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL16863133 0.72 KDM4E (0.54) ALDH1A1KDM4ELMNAHSD17B2CCR9
SCHEMBL4103668 0.72 MEN1 (0.55) ALDH1A1KDM4ELMNAMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0959072-B1 Sulfonamide derivative and process for preparing the same TANABE SEIYAKU CO (JP) 2002-09-25 EP disclosed
EP-0959072-A1 Sulfonamide derivative and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1999-11-24 EP disclosed
US-5739333-A 4-SULFONAMIDO-6-ARYLOXY OR -AMINOALKYLENEOXY,-AMINO, OR -THIOPYRIMIDINES; ENDOLTHELIN ANTAGONISTS; HYPOTENSIVE AND ULCER AGENTS; ASTHMA; RAYNAUD DISEASE; CARDIOVASCULAR DISORDERS TANABE SEIYAKU CO., LTD. (JP) 1998-04-14 US disclosed
US-5728706-A ENDOTHELIN ANTAGONISTS TANABE SEIYAKU CO., LTD. (JP) 1998-03-17 US disclosed
EP-0658548-B1 Benzenesulfonamide derivative and process for preparing thereof TANABE SEIYAKU CO (JP) 1997-11-19 EP disclosed
US-5589478-A ENDOTHELIN ANTAGONISTS TANABE SEIYAKU CO., LTD. (JP) 1996-12-31 US disclosed
EP-0743307-A1 Sulfonamide derivative and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1996-11-20 EP disclosed
EP-0658548-A1 Benzenesulfonamide derivative and process for preparing thereof TANABE SEIYAKU CO., LTD. (JP) 1995-06-21 EP disclosed