SCHEMBL10765732

SCHEMBL10765732

COc1c(C=CC2=NNC(=O)CC2)cccc1SC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 6/20 0.62
▸ PTGS1 P23219 5/20 0.62
▸ LMNA P02545 3/20 0.52
▸ RAB9A P51151 3/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ MAPT P10636 3/20 0.44
▸ GAA P10253 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ PDE3B Q13370 2/20 0.37
▸ PDE3A Q14432 2/20 0.37
▸ CYP1A1 P04798 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP1B1 Q16678 1/20 0.36
▸ ABCB1 P08183 2/20 0.35
▸ PDE4B Q07343 2/20 0.34
▸ PDE4A P27815 1/20 0.34

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
SCHEMBL10760256 0.85 PTGS2 (0.64) PTGS2PTGS1LMNARAB9ASMN1; SMN2
SCHEMBL10765325 0.81 PTGS2 (0.62) PTGS2PTGS1LMNARAB9ASMN1; SMN2
SCHEMBL10760881 0.81 PTGS2 (0.73) PTGS2PTGS1LMNARAB9ASMN1; SMN2
SCHEMBL10765327 0.80 PTGS2 (0.61) PTGS2PTGS1LMNARAB9ASMN1; SMN2
SCHEMBL10765840 0.79 PTGS2 (0.60) PTGS2PTGS1LMNARAB9ASMN1; SMN2
SCHEMBL10766091 0.79 RAB9A (0.62) PTGS2PTGS1LMNARAB9ASMN1; SMN2
SCHEMBL10765745 0.79 RAB9A (0.62) PTGS2PTGS1LMNARAB9ASMN1; SMN2
SCHEMBL10763566 0.78 PDE3A (0.43) PTGS2PTGS1SMN1; SMN2MAPTPDE3B
SCHEMBL10760671 0.77 PTGS2 (1.00) PTGS2PTGS1LMNARAB9ASMN1; SMN2
SCHEMBL10765787 0.77 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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