SCHEMBL29190993

SCHEMBL29190993

COC(=O)c1cccn1C(=O)c1ccc(C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.53
KDM4E B2RXH2 3/20 0.53
MEN1 O00255 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MAPT P10636 3/20 0.44
ALDH1A1 P00352 3/20 0.44
PKM P14618 2/20 0.42
NPC1 O15118 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
F2 P00734 2/20 0.41
FBP1 P09467 1/20 0.41
BCHE P06276 1/20 0.41
CYP1A2 P05177 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
THRB P10828 1/20 0.40

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
SCHEMBL29191049 0.86 KMT2A (0.54) KMT2AKDM4EMEN1MAPTALDH1A1
SCHEMBL29190981 0.86 F2 (0.56) KMT2AKDM4EMEN1TDP1MAPT
SCHEMBL29191034 0.86 KMT2A (0.54) KMT2AKDM4EMEN1MAPTALDH1A1
SCHEMBL29191053 0.84 KMT2A (0.56) KMT2AKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL29190973 0.82 CYP11B1 (0.44) KDM4EMAPTALDH1A1PKMNPC1
SCHEMBL29191002 0.81 POLB (0.51) KMT2AKDM4EMEN1TDP1MAPT
SCHEMBL29191097 0.80 KMT2A (0.43) KMT2AMEN1MAPTALDH1A1PKM
SCHEMBL30874561 0.80 KMT2A (0.43) KMT2AMEN1MAPTALDH1A1PKM
SCHEMBL29191057 0.77 ELANE (0.44) KMT2AKDM4EMAPTALDH1A1NPC1
SCHEMBL29191039 0.77 MAPT (0.47) KMT2AKDM4EMEN1MAPTALDH1A1

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-117886734-A Heterocyclic amide compound and preparation method, pharmaceutical composition and application thereof 中国药科大学 2024-04-16 CN disclosed