SCHEMBL24054530

SCHEMBL24054530

O=C(NCc1ccccc1)c1cc2ccccc2n(-c2ccccc2)c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.53
KMT2A Q03164 4/20 0.49
BRD4 O60885 1/20 0.48
LMNA P02545 2/20 0.47
ALDH1A1 P00352 2/20 0.47
TSHR P16473 1/20 0.47
PMM2 O15305 1/20 0.46
MPI P34949 1/20 0.46
PHOSPHO1 Q8TCT1 1/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
HPGD P15428 4/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 1/20 0.45
KDM4E B2RXH2 1/20 0.45
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL16236935 0.84 MAOB (0.55) MAOBKMT2ABRD4LMNAALDH1A1
SCHEMBL5434666 0.81 ELANE (0.55) KMT2ALMNAALDH1A1CNR1NPC1
SCHEMBL5438329 0.80 ELANE (0.59) KMT2ALMNAALDH1A1MEN1TP53
SCHEMBL5438359 0.80 ELANE (0.54) LMNAHPGD
SCHEMBL5441836 0.80 ELANE (0.54) KMT2ALMNAALDH1A1HPGDGAA
SCHEMBL5445075 0.80 ELANE (0.52)
SCHEMBL5434795 0.80 MAPK14 (0.55) TP53
SCHEMBL5757403 0.80 CNR1 (0.64) KMT2ABRD4ALDH1A1CNR1CNR2
SCHEMBL5440472 0.79 DDT (0.56) LMNAALDH1A1HPGDKDM4E
SCHEMBL5438601 0.79 LMNA (0.55) KMT2ALMNAHPGDGAAMEN1

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
WO-2021237112-A1 NOTCH INHIBITORS AND USES THEREOF STEMSYNERGY THERAPEUTICS, INC. (US) 2021-11-25 WO disclosed