SCHEMBL8107816

SCHEMBL8107816

CS(=O)(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1Oc1ccc(Cl)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.52
PTGS2 P35354 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 1/20 0.50
SLC12A2 P55011 1/20 0.50
SLC12A5 Q9H2X9 1/20 0.50
POLB P06746 2/20 0.49
GLA P06280 1/20 0.49
PKM P14618 1/20 0.48
RAB9A P51151 2/20 0.47
CCR2 P41597 2/20 0.46
VCAM1 P19320 1/20 0.46
MAPK1 P28482 1/20 0.45
CYP19A1 P11511 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 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
SCHEMBL8091401 0.86 PTGS1 (0.60) PTGS1PTGS2LMNARAB9ACCR2
SCHEMBL8104912 0.84 PTGS1 (0.57) PTGS1PTGS2SMN1; SMN2LMNAPKM
SCHEMBL8480176 0.82 PTGS1 (0.60) PTGS1PTGS2LMNAPKMCCR2
SCHEMBL8092102 0.82 PTGS1 (0.60) PTGS1PTGS2LMNACCR2TP53
SCHEMBL8476800 0.82 PTGS1 (0.57) PTGS1PTGS2SMN1; SMN2LMNAGLA
SCHEMBL8481953 0.82 PTGS1 (0.59) PTGS1PTGS2LMNACCR2TP53
SCHEMBL8100691 0.81 PTGS1 (0.58) PTGS1PTGS2LMNAPKMCCR2
SCHEMBL8091464 0.80 PTGS2 (0.62) PTGS1PTGS2SMN1; SMN2LMNAGLA
SCHEMBL8107162 0.79 PTGS1 (0.61) PTGS1PTGS2LMNACCR2CYP19A1
SCHEMBL8101589 0.79 PTGS2 (0.61) PTGS1PTGS2LMNACCR2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0848703-B1 DERIVATIVES OF BENZOSULPHONAMIDES AS INHIBITORS OF THE ENZYME CYCLO-OXYGENASE II NYCOMED AUSTRIA GMBH (AT) 2000-09-27 EP disclosed
US-6004948-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS; SIDE EFFECT REDUCTION NYCOMED AUSTRIA GMBH (AT) 1999-12-21 US disclosed