SCHEMBL10972483

SCHEMBL10972483

O=C1CCC(C=Cc2ccncc2)=NN1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 3/20 0.68
▸ PTGS2 P35354 3/20 0.68
▸ SMN1; SMN2 Q16637 8/20 0.64
▸ RAB9A P51151 7/20 0.64
▸ LMNA P02545 3/20 0.64
▸ KDM4E B2RXH2 2/20 0.64
▸ L3MBTL1 Q9Y468 1/20 0.64
▸ PDE3B Q13370 1/20 0.63
▸ PDE3A Q14432 1/20 0.63
▸ MAPT P10636 5/20 0.59
▸ NPC1 O15118 5/20 0.59
▸ POLB P06746 1/20 0.59
▸ GAA P10253 1/20 0.59
▸ PKM P14618 1/20 0.59
▸ KCNH2 Q12809 1/20 0.43
▸ JUN P05412 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ XBP1 P17861 1/20 0.38
▸ MAPK1 P28482 1/20 0.38

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
SCHEMBL10763947 0.83 RAB9A (0.68) PTGS1PTGS2SMN1; SMN2RAB9ALMNA
SCHEMBL10763655 0.82 LMNA (0.67) PTGS1PTGS2SMN1; SMN2RAB9ALMNA
SCHEMBL10764421 0.82 RAB9A (0.67) PTGS1PTGS2SMN1; SMN2RAB9ALMNA
SCHEMBL10763657 0.82 RAB9A (0.71) PTGS1PTGS2SMN1; SMN2RAB9ALMNA
SCHEMBL10765743 0.82 RAB9A (0.67) PTGS1PTGS2SMN1; SMN2RAB9ALMNA
SCHEMBL10761784 0.82 SMN1; SMN2 (0.71) PTGS1PTGS2SMN1; SMN2RAB9ALMNA
SCHEMBL10762783 0.81 LMNA (0.62) PTGS1PTGS2SMN1; SMN2RAB9ALMNA
SCHEMBL10996605 0.81 PTGS1 (1.00) PTGS1PTGS2SMN1; SMN2RAB9ALMNA
SCHEMBL10977879 0.80 SMN1; SMN2 (0.59) PTGS1PTGS2SMN1; SMN2RAB9ALMNA
SCHEMBL10762199 0.78 RAB9A (0.66) PTGS1PTGS2SMN1; SMN2RAB9ALMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4508721-A Pyridazin-3-one derivatives IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1985-04-02 — — US claimed
EP-0081906-A1 Pharmaceutically-active pyridylvinylpyridazinones IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-06-22 — — EP claimed
EP-0081906-B1 PHARMACEUTICALLY-ACTIVE PYRIDYLVINYLPYRIDAZINONES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-07-24 — — EP disclosed
US-4508721-A Pyridazin-3-one derivatives IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1985-04-02 — — US disclosed
EP-0081906-A1 Pharmaceutically-active pyridylvinylpyridazinones IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-06-22 — — EP disclosed
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