SCHEMBL31473285

SCHEMBL31473285

Cn1ncc2c(=O)n(Nc3ccccc3Cl)cnc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CCR4 P51679 3/20 0.43
PDE2A O00408 1/20 0.41
TP53 P04637 2/20 0.40
BRD4 O60885 1/20 0.39
BPTF Q12830 1/20 0.39
KAT2B Q92831 1/20 0.39
BRD9 Q9H8M2 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL31473314 0.86 TP53 (0.52) KMT2AMEN1ALDH1A1MAPTNPSR1
SCHEMBL31473297 0.85 SMN1; SMN2 (0.46) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL31473323 0.85 MEN1 (0.47) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL31473322 0.85 KMT2A (0.47) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL31473316 0.85 KMT2A (0.47) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL31473303 0.83 MEN1 (0.53) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL31473290 0.81 TSHR (0.44) KMT2AMEN1ALDH1A1KDM4EPDE2A
SCHEMBL31473311 0.79 MEN1 (0.49) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL31473320 0.78 MEN1 (0.40) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL31473293 0.76 HAVCR2 (0.51) KMT2AMEN1ALDH1A1KDM4EMAPT

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-119390700-A Pyrazolopyrimidinone derivative containing aniline unit, and preparation method and application thereof 江苏海洋大学 2025-02-07 CN disclosed