SCHEMBL7465763

SCHEMBL7465763

O=C1[C@H](Cc2ccccc2)N(Cc2ccccc2)S(=O)(=O)N1CF

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 2/20 0.44
F2 P00734 1/20 0.39
PLG P00747 1/20 0.39
ELANE P08246 1/20 0.39
CTSG P08311 1/20 0.39
CMA1 P23946 1/20 0.39
CTRC Q99895 1/20 0.39
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MMP2 P08253 3/20 0.38
MAPT P10636 1/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL7464643 0.81 GFER (0.41) EP300ELANELMNACYP1A2CYP2C9
SCHEMBL7471550 0.77 PLA2G10 (0.50) F2KMT2APOLBALDH1A1
SCHEMBL7419055 0.70 GFER (0.41) EP300ELANELMNACYP1A2CYP2C9
SCHEMBL7681709 0.69 EP300 (0.44) EP300F2PLGELANECTSG
SCHEMBL7462751 0.68 GAA (0.41) EP300LMNACYP1A2CYP2C9CYP2C19
SCHEMBL7472990 0.68 HSD11B1 (0.41) EP300LMNACYP1A2CYP2C9CYP2C19
SCHEMBL7339586 0.68 KMT2A (0.44) EP300F2PLGELANECTSG
SCHEMBL7335115 0.64 ELANE (0.53) EP300F2PLGELANECTSG
SCHEMBL7423743 0.63 GFER (0.38) ELANELMNACYP1A2CYP2C9CYP2C19
SCHEMBL23873935 0.62 CAPN1 (0.67) EP300MMP2MAPTEHMT2HDAC6

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-0739338-B1 SERINE PROTEASE INHIBITORS: DERIVATIVES OF ISOTHIAZOLIDIN-3-ONE-1,1 DIOXIDE AND 3-OXO-1,2,5-THIADIAZOLIDINE-1,1-DIOXIDE UNIV WICHITA STATE (US) 2002-04-10 EP disclosed
EP-0739338-A4 NOVEL SERINE PROTEASE INHIBITORS: DERIVATIVES OF ISOTHIAZOLIDIN-3-ONE-1,1 DIOXIDE AND 3-OXO-1,2,5-THIADIAZOLIDINE-1,1-DIOXIDE UNIV WICHITA STATE (US) 1997-03-26 EP disclosed
EP-0739338-A1 NOVEL SERINE PROTEASE INHIBITORS: DERIVATIVES OF ISOTHIAZOLIDIN-3-ONE-1,1 DIOXIDE AND 3-OXO-1,2,5-THIADIAZOLIDINE-1,1-DIOXIDE THE WICHITA STATE UNIVERSITY (US) 1996-10-30 EP disclosed
US-5550139-A ANTIINFLAMMATORY AGENT, ANTITUMOR AGENT, ANTICARCINOGENIC AGENT THE WICHITA STATE UNIVERSITY (US) 1996-08-27 US disclosed
WO-1995018797-A1 NOVEL SERINE PROTEASE INHIBITORS: DERIVATIVES OF ISOTHIAZOLIDIN-3-ONE-1,1 DIOXIDE AND 3-OXO-1,2,5-THIADIAZOLIDINE-1,1-DIOXIDE THE WICHITA STATE UNIVERSITY (US) 1995-07-13 WO disclosed