SCHEMBL8524769

SCHEMBL8524769

CS(=O)(=O)Nc1cc(CO)c(N)cc1Oc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 5/20 0.50
PTGS2 P35354 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
ADORA3 P0DMS8 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MLNR O43193 1/20 0.50
LMNA P02545 1/20 0.50
MMP1 P03956 1/20 0.50
MPO P05164 1/20 0.50
CYP1A2 P05177 1/20 0.50
GLA P06280 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
CYP19A1 P11511 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
TBXA2R P21731 1/20 0.50

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
SCHEMBL8523487 0.81 CYP19A1 (0.61) PTGS1PTGS2SMN1; SMN2ADORA3MEN1
SCHEMBL8524150 0.79 PTGS1 (0.54) PTGS1PTGS2ADORA3LMNAMAPT
SCHEMBL8524539 0.78 TTR (0.56) PTGS1PTGS2SMN1; SMN2ADORA3MEN1
SCHEMBL14701620 0.76 PTGS1 (0.64) PTGS1PTGS2SMN1; SMN2ADORA3MEN1
SCHEMBL8942128 0.76 PTGS1 (0.55) PTGS1PTGS2SMN1; SMN2ADORA3MEN1
SCHEMBL10416926 0.75 PTGS1 (0.70) PTGS1PTGS2SMN1; SMN2ADORA3MEN1
SCHEMBL6281034 0.74 CYP19A1 (0.65) PTGS1PTGS2SMN1; SMN2ADORA3MEN1
SCHEMBL10417277 0.73 PTGS1 (0.55) PTGS1PTGS2SMN1; SMN2ADORA3MEN1
SCHEMBL8719438 0.72 PTGS2 (0.68) PTGS1PTGS2SMN1; SMN2ADORA3MEN1
SCHEMBL13524349 0.72 PTGS1 (0.65) PTGS1PTGS2SMN1; SMN2ADORA3MEN1

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
US-6004948-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS; SIDE EFFECT REDUCTION NYCOMED AUSTRIA GMBH (AT) 1999-12-21 US disclosed