SCHEMBL30904790

SCHEMBL30904790

COc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1NCCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ TAAR1 Q96RJ0 1/20 0.56
▸ NT5E P21589 4/20 0.41
▸ PDCD1 Q15116 1/20 0.41
▸ CD274 Q9NZQ7 1/20 0.41
▸ ACP1 P24666 2/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GPR84 Q9NQS5 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ NQO1 P15559 1/20 0.37
▸ NQO2 P16083 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ FAAH O00519 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
SCHEMBL30904788 0.85 MEN1 (0.51) KDM4EMEN1MAPTKMT2ATAAR1
SCHEMBL30904785 0.84 MEN1 (0.59) KDM4EMEN1MAPTKMT2ATAAR1
SCHEMBL30904779 0.84 MEN1 (0.59) KDM4EMEN1MAPTKMT2ATAAR1
SCHEMBL29206795 0.81 KMT2A (0.55) KDM4EMEN1MAPTKMT2ATAAR1
SCHEMBL23994321 0.74 MEN1 (0.54) KDM4EMEN1MAPTKMT2ATAAR1
SCHEMBL30904777 0.74 ACP1 (0.46) KDM4EMEN1MAPTKMT2AACP1
SCHEMBL29206815 0.74 ACP1 (0.46) KDM4EMEN1MAPTKMT2AACP1
SCHEMBL31065716 0.73 MEN1 (1.00) KDM4EMEN1MAPTKMT2ATAAR1
SCHEMBL29206797 0.71 ACP1 (0.44) KDM4EMEN1MAPTKMT2AACP1
SCHEMBL24300541 0.71 NT5E (0.50) KDM4ENT5EPDCD1CD274ALDH1A1

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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