SCHEMBL30904777

SCHEMBL30904777

COc1ncc(-c2cc(NCCc3ccccc3)c(OC)nn2)c(OC)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACP1 P24666 7/20 0.46
▸ FAAH O00519 1/20 0.43
▸ CES1 P23141 1/20 0.43
▸ PTGDR Q13258 2/20 0.38
▸ KDM4E B2RXH2 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ RCE1 Q9Y256 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ ASPH Q12797 1/20 0.37
▸ RIOX2 Q8IUF8 1/20 0.37

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
SCHEMBL29206815 1.00 ACP1 (0.46) ACP1FAAHCES1PTGDRKDM4E
SCHEMBL29206792 0.90 ACP1 (0.41) ACP1FAAHCES1PTGDRKDM4E
SCHEMBL30904773 0.90 ACP1 (0.41) ACP1FAAHCES1PTGDRKDM4E
SCHEMBL30904786 0.86 FAAH (0.44) ACP1FAAHCES1PTGDRKDM4E
SCHEMBL29206852 0.86 FAAH (0.44) ACP1FAAHCES1PTGDRKDM4E
SCHEMBL29206806 0.75 FAAH (0.42) ACP1FAAHCES1SMN1; SMN2ALDH1A1
SCHEMBL30904776 0.75 FAAH (0.42) ACP1FAAHCES1SMN1; SMN2ALDH1A1
SCHEMBL29206823 0.75 FAAH (0.42) ACP1FAAHCES1SMN1; SMN2ALDH1A1
SCHEMBL30904787 0.75 FAAH (0.42) ACP1FAAHCES1SMN1; SMN2ALDH1A1
SCHEMBL30904780 0.75 FAAH (0.43) ACP1FAAHCES1MEN1KMT2A

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
CN-118005615-A Pyridazine compound and preparation method, pharmaceutical composition and application thereof 中国药科大学 2024-05-10 — — CN disclosed
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