SCHEMBL10765022

SCHEMBL10765022

C[S+]([O-])c1ccc(C=CC2=NNC(=O)CC2)cc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 4/20 0.54
▸ PTGS1 P23219 3/20 0.54
▸ LMNA P02545 3/20 0.52
▸ RAB9A P51151 3/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ POLB P06746 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ PDE3B Q13370 1/20 0.44
▸ PDE3A Q14432 1/20 0.44
▸ MAOB P27338 3/20 0.32
▸ MAOA P21397 1/20 0.32
▸ LCK P06239 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ ALPL P05186 1/20 0.30
▸ ALPI P09923 1/20 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
SCHEMBL10764503 0.85 SMN1; SMN2 (0.60) PTGS2PTGS1LMNARAB9ASMN1; SMN2
SCHEMBL10759679 0.81 SMN1; SMN2 (0.59) PTGS2PTGS1LMNARAB9ASMN1; SMN2
SCHEMBL10764523 0.81 PTGS1 (0.67) PTGS2PTGS1LMNARAB9ASMN1; SMN2
SCHEMBL10763589 0.80 RAB9A (0.63) PTGS2PTGS1LMNARAB9ASMN1; SMN2
SCHEMBL10761813 0.80 PTGS2 (0.55) PTGS2PTGS1LMNARAB9ASMN1; SMN2
SCHEMBL10766207 0.78 PDE3B (0.54) PTGS2PTGS1LMNASMN1; SMN2GAA
SCHEMBL10763237 0.78 PTGS1 (0.56) PTGS2PTGS1LMNARAB9ASMN1; SMN2
SCHEMBL10762692 0.78 LMNA (0.64) PTGS2PTGS1LMNARAB9ASMN1; SMN2
SCHEMBL10766648 0.78 PTGS2 (0.61) PTGS2PTGS1LMNARAB9ASMN1; SMN2
SCHEMBL10762629 0.77 RAB9A (0.59) 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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