SCHEMBL31375669

SCHEMBL31375669

[2H]C([2H])([2H])OC1(c2ncc(C(N)=O)cn2)CCCC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NNMT P40261 7/20 0.43
HPGDS O60760 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
AKT1 P31749 1/20 0.30
LMNA P02545 1/20 0.30
OPRM1 P35372 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
SCHEMBL31375627 0.74 KDM4E (0.31)
SCHEMBL28455141 0.71 NNMT (0.44) NNMTHPGDSSMN1; SMN2HDAC3HDAC1
SCHEMBL30801504 0.65 HDAC1 (0.68) NNMTHDAC3HDAC1HDAC2HDAC6
SCHEMBL669121 0.63 NNMT (0.52) NNMTHPGDSSMN1; SMN2MKNK1MKNK2
SCHEMBL3407188 0.62 NNMT (0.56) NNMTSMN1; SMN2HDAC1HDAC6MKNK1
SCHEMBL17005755 0.62 HDAC3 (0.49) NNMTSMN1; SMN2HDAC3HDAC1HDAC2
SCHEMBL30801502 0.62 HDAC1 (0.64) NNMTHDAC3HDAC1HDAC2HDAC6
SCHEMBL20547577 0.62
SCHEMBL2715514 0.61 NNMT (0.58) NNMTHPGDSSMN1; SMN2MKNK1MKNK2
SCHEMBL1745778 0.59 NNMT (0.52) NNMTSMN1; SMN2MKNK1MKNK2LMNA

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-119486992-A PI3K alpha inhibitors and methods of use thereof 传达治疗有限公司 2025-02-18 CN disclosed