SCHEMBL10760199

SCHEMBL10760199

C=CC[S+]([O-])c1cccc(C=Cc2ccc(=O)[nH]n2)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.55
PTGS2 P35354 2/20 0.55
LMNA P02545 3/20 0.52
KDM4E B2RXH2 2/20 0.52
CYP1A2 P05177 2/20 0.52
HPGD P15428 2/20 0.52
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAOB P27338 1/20 0.33
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
GALK1 P51570 1/20 0.31

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
SCHEMBL10760192 1.00 PTGS1 (0.55) PTGS1PTGS2LMNAKDM4ECYP1A2
SCHEMBL10761793 0.85 LMNA (0.55) PTGS1PTGS2LMNAKDM4ECYP1A2
SCHEMBL10761799 0.85 LMNA (0.55) PTGS1PTGS2LMNAKDM4ECYP1A2
SCHEMBL10764196 0.84 PTGS1 (0.55) PTGS1PTGS2LMNAKDM4ECYP1A2
SCHEMBL10764191 0.84 PTGS1 (0.55) PTGS1PTGS2LMNAKDM4ECYP1A2
SCHEMBL10760382 0.82 PTGS2 (0.65) PTGS1PTGS2LMNAKDM4ECYP1A2
SCHEMBL10760386 0.82 PTGS2 (0.65) PTGS1PTGS2LMNAKDM4ECYP1A2
SCHEMBL10762882 0.77 LMNA (0.51) PTGS1PTGS2LMNAKDM4ECYP1A2
SCHEMBL10762875 0.77 LMNA (0.51) PTGS1PTGS2LMNAKDM4ECYP1A2
SCHEMBL10761347 0.77 LMNA (0.51) PTGS1PTGS2LMNAKDM4ECYP1A2

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
EP-0210530-A1 6-Arylalkenyl pyridazinones MERCK PATENT GmbH (DE) 1987-02-04 EP disclosed