SCHEMBL8914173

SCHEMBL8914173

NC(=O)N1CCNCC1.O=C(O)[C@@H]1CCCN1S(=O)(=O)c1cccc2c(Cl)cccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.53
TP53 P04637 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2D6 P10635 2/20 0.53
NFKB1 P19838 2/20 0.53
MYLK Q15746 2/20 0.53
MEN1 O00255 1/20 0.53
CYP2C9 P11712 1/20 0.53
KMT2A Q03164 1/20 0.53
LMNA P02545 2/20 0.52
GMNN O75496 1/20 0.52
MAPT P10636 1/20 0.52
PMP22 Q01453 1/20 0.52
KDM4E B2RXH2 2/20 0.48
TSHR P16473 2/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
PLAU P00749 3/20 0.44
BRD4 O60885 1/20 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
SCHEMBL8914961 0.81 PRKD3 (0.56) MAPK1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL8914179 0.80 MAPK1 (0.55) MAPK1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL8914321 0.80 ALDH1A1 (0.50) LMNAMAPTKDM4EMMP8MMP12
SCHEMBL8916278 0.79 KDM4E (0.49) LMNAKDM4ETSHRCASP1CASP7
SCHEMBL9540835 0.78 KDM4E (0.51) MAPK1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL8916305 0.76 LMNA (0.52) KMT2ALMNAMAPTKDM4ETSHR
SCHEMBL7359593 0.76 MMP8 (0.55) KMT2ALMNAKDM4ETSHRCASP1
SCHEMBL3727147 0.76 MMP8 (0.58) LMNAMAPTKDM4ETSHRCASP1
SCHEMBL2705837 0.74 HCRTR1 (0.64) MEN1KMT2ALMNAKDM4ETSHR
SCHEMBL2706418 0.74 HCRTR1 (0.64) MEN1KMT2ALMNAKDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5663174-A ANTIINFLAMMATORY AGENTS, INHIBITOR OF KINASES, ANTIARTHRITIC AGENTS PHARNO-WEDROPHARM GMBH (DE) 1997-09-02 US disclosed
EP-0602028-B1 AROMATIC SULFONAMIDE DERIVATIVES, THEIR USE AS ENZYME INHIBITORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PHARNO WEDROPHARM GMBH (DE) 1996-01-17 EP disclosed
EP-0602028-A1 AROMATIC SULFONAMIDE DERIVATIVES, THEIR USE AS ENZYME INHIBITORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. PHARNO WEDROPHARM GMBH (DE) 1994-06-22 EP disclosed
WO-1993005014-A1 AROMATIC SULFONAMIDE DERIVATIVES, THEIR USE AS ENZYME INHIBITORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PHARNO-WEDROPHARM GMBH (DE) 1993-03-18 WO disclosed