SCHEMBL10762879

SCHEMBL10762879

COc1cc(C=CC2=NNC(=O)CC2)c(OC)c(OC)c1[S+](C)[O-]

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 5/20 0.56
▸ PTGS1 P23219 4/20 0.56
▸ LMNA P02545 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ PDE4B Q07343 3/20 0.39
▸ PDE3B Q13370 2/20 0.39
▸ PDE3A Q14432 2/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PKM P14618 1/20 0.39

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
SCHEMBL10760153 0.84 LMNA (0.56) PTGS2PTGS1LMNARAB9ASMN1; SMN2
SCHEMBL10766220 0.82 PTGS2 (0.58) PTGS2PTGS1LMNARAB9ASMN1; SMN2
SCHEMBL10760909 0.81 PTGS2 (0.70) PTGS2PTGS1LMNARAB9ASMN1; SMN2
SCHEMBL10760532 0.80 PDE3A (0.40) PTGS2PTGS1SMN1; SMN2PDE4BPDE3B
SCHEMBL10762602 0.80 PTGS2 (0.58) PTGS2PTGS1LMNARAB9ASMN1; SMN2
SCHEMBL10765667 0.79 PTGS2 (0.63) PTGS2PTGS1LMNARAB9ASMN1; SMN2
SCHEMBL10762143 0.79 PTGS2 (0.63) PTGS2PTGS1LMNARAB9ASMN1; SMN2
SCHEMBL10762860 0.79 PTGS2 (0.57) PTGS2PTGS1LMNARAB9ASMN1; SMN2
SCHEMBL10764764 0.78 LMNA (0.52) PTGS2PTGS1LMNARAB9ASMN1; SMN2
SCHEMBL10765840 0.76 PTGS2 (0.60) PTGS2PTGS1LMNARAB9ASMN1; SMN2

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
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