SCHEMBL10764037

SCHEMBL10764037

C=CCSc1ccccc1C=CC1=NNC(=O)CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 5/20 0.54
▸ PTGS1 P23219 3/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ LMNA P02545 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ PDE3B Q13370 1/20 0.37
▸ PDE3A Q14432 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HPGD P15428 2/20 0.30

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
SCHEMBL10761709 0.82 PTGS2 (0.53) PTGS2PTGS1SMN1; SMN2LMNARAB9A
SCHEMBL10760256 0.81 PTGS2 (0.64) PTGS2PTGS1SMN1; SMN2LMNARAB9A
SCHEMBL10765726 0.78 RAB9A (0.55) PTGS2PTGS1SMN1; SMN2LMNARAB9A
SCHEMBL10761671 0.77 PTGS1 (0.54) PTGS2PTGS1SMN1; SMN2LMNARAB9A
SCHEMBL10763296 0.77 PDE3A (0.43) PTGS2PTGS1GAAPDE3BPDE3A
SCHEMBL10766800 0.77 PTGS1 (0.54) PTGS2PTGS1SMN1; SMN2LMNARAB9A
SCHEMBL10766427 0.76 PTGS1 (0.59) PTGS2PTGS1SMN1; SMN2LMNARAB9A
SCHEMBL10763618 0.76 PTGS2 (0.67) PTGS2PTGS1SMN1; SMN2LMNARAB9A
SCHEMBL10767198 0.75 PTGS2 (0.53) PTGS2PTGS1SMN1; SMN2LMNARAB9A
SCHEMBL10765262 0.74 PTGS2 (0.52) PTGS2PTGS1SMN1; SMN2LMNARAB9A

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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