SCHEMBL10762648

SCHEMBL10762648

C=CCS(=O)(=O)c1cc(C=CC2=NNC(=O)CC2)ccc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.54
▸ SMN1; SMN2 Q16637 5/20 0.54
▸ LMNA P02545 3/20 0.54
▸ L3MBTL1 Q9Y468 3/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ PTGS2 P35354 4/20 0.49
▸ PTGS1 P23219 3/20 0.49
▸ POLB P06746 4/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ PDE3B Q13370 2/20 0.39
▸ PDE3A Q14432 2/20 0.39
▸ PDE4B Q07343 2/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL10764378 0.92 RAB9A (0.54) RAB9ASMN1; SMN2LMNAL3MBTL1KDM4E
SCHEMBL10763511 0.85 SMN1; SMN2 (0.60) RAB9ASMN1; SMN2LMNAL3MBTL1KDM4E
SCHEMBL10763395 0.85 SMN1; SMN2 (0.53) RAB9ASMN1; SMN2LMNAL3MBTL1KDM4E
SCHEMBL10765683 0.81 PDE3A (0.45) SMN1; SMN2L3MBTL1POLBPDE3BPDE3A
SCHEMBL10765902 0.80 SMN1; SMN2 (0.69) RAB9ASMN1; SMN2LMNAL3MBTL1KDM4E
SCHEMBL10763049 0.79 RAB9A (0.54) RAB9ASMN1; SMN2LMNAL3MBTL1KDM4E
SCHEMBL10760888 0.78 LMNA (0.60) RAB9ASMN1; SMN2LMNAL3MBTL1KDM4E
SCHEMBL10763307 0.78 PTGS1 (0.58) RAB9ASMN1; SMN2LMNAL3MBTL1KDM4E
SCHEMBL10762601 0.77 LMNA (0.52) RAB9ASMN1; SMN2LMNAL3MBTL1KDM4E
SCHEMBL10762603 0.77 LMNA (0.52) RAB9ASMN1; SMN2LMNAL3MBTL1KDM4E

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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