SCHEMBL28626435

SCHEMBL28626435

O=C(O)c1cc2n(n1)CC(CO)O2

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
RIPK1 Q13546 2/20 0.32
POLB P06746 1/20 0.32
CALML3 P27482 1/20 0.31
PLAT P00750 1/20 0.31
HTT P42858 1/20 0.30

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
SCHEMBL3553152 0.87 RIPK1 (0.36) KDM4ERIPK1POLBHTT
SCHEMBL28626441 0.86 KDM4E (0.32) KDM4E
SCHEMBL23645378 0.85 RIPK1 (0.34) KDM4ERIPK1POLBPLATHTT
SCHEMBL23645415 0.81 KMT2A (0.38) KDM4EPOLB
SCHEMBL23652648 0.80 KMO (0.32)
SCHEMBL23645451 0.80 KMO (0.32) RIPK1
SCHEMBL23652755 0.80 KDM4E (0.34) KDM4EPOLB
SCHEMBL23652816 0.79 DAO (0.33)
SCHEMBL23645426 0.78 KDM4E (0.35) KDM4EPOLB
SCHEMBL23653011 0.78 KDM4E (0.33) KDM4EPOLB

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-112689636-A Novel heteroatom aromatic amide derivative and drug containing the same 科研制药株式会社 2021-04-20 CN disclosed