SCHEMBL10765667

SCHEMBL10765667

COc1ccc([S+](C)[O-])cc1C=CC1=NNC(=O)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 8/20 0.63
▸ PTGS1 P23219 6/20 0.63
▸ LMNA P02545 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ PDE4B Q07343 4/20 0.43
▸ PDE3B Q13370 3/20 0.43
▸ PDE3A Q14432 3/20 0.43
▸ PDE4A P27815 2/20 0.43
▸ PDE4C Q08493 2/20 0.43
▸ PDE4D Q08499 2/20 0.43
▸ 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
▸ CYP1A1 P04798 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32

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
SCHEMBL10762143 0.91 PTGS2 (0.63) PTGS2PTGS1LMNARAB9ASMN1; SMN2
SCHEMBL10766220 0.83 PTGS2 (0.58) PTGS2PTGS1LMNARAB9ASMN1; SMN2
SCHEMBL10760269 0.81 PTGS2 (0.65) PTGS2PTGS1LMNARAB9ASMN1; SMN2
SCHEMBL10759679 0.80 SMN1; SMN2 (0.59) PTGS2PTGS1LMNARAB9ASMN1; SMN2
SCHEMBL10760909 0.80 PTGS2 (0.70) PTGS2PTGS1LMNARAB9ASMN1; SMN2
SCHEMBL10766295 0.79 PDE3A (0.46) PTGS2PTGS1PDE4BPDE3BPDE3A
SCHEMBL10760786 0.79 PTGS2 (0.66) PTGS2PTGS1LMNARAB9ASMN1; SMN2
SCHEMBL10762879 0.79 PTGS2 (0.56) PTGS2PTGS1LMNARAB9ASMN1; SMN2
SCHEMBL10764503 0.78 SMN1; SMN2 (0.60) PTGS2PTGS1LMNARAB9ASMN1; SMN2
SCHEMBL10763589 0.78 RAB9A (0.63) 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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