SCHEMBL31473322

SCHEMBL31473322

Cn1ncc2c(=O)n(Nc3ccccc3Br)cnc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
PLA2G1B P04054 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
TP53 P04637 2/20 0.40
ALDH1A1 P00352 6/20 0.39
HTT P42858 2/20 0.39
ALOX12 P18054 1/20 0.39
KDM4E B2RXH2 2/20 0.38
USP7 Q93009 2/20 0.37
RAB9A P51151 4/20 0.36
NPC1 O15118 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL31473316 1.00 KMT2A (0.47) KMT2AMEN1PLA2G1BATG4BTP53
SCHEMBL31473314 0.86 TP53 (0.52) KMT2AMEN1TP53ALDH1A1USP7
SCHEMBL31473285 0.85 KMT2A (0.47) KMT2AMEN1TP53ALDH1A1KDM4E
SCHEMBL31473323 0.85 MEN1 (0.47) KMT2AMEN1TP53ALDH1A1KDM4E
SCHEMBL31473303 0.83 MEN1 (0.53) KMT2AMEN1TP53ALDH1A1HTT
SCHEMBL31473297 0.82 SMN1; SMN2 (0.46) KMT2AMEN1TP53ALDH1A1HTT
SCHEMBL31473320 0.78 MEN1 (0.40) KMT2AMEN1TP53ALDH1A1HTT
SCHEMBL31473289 0.77 GAA (0.42) KMT2AMEN1TP53ALDH1A1HTT
SCHEMBL31473293 0.76 HAVCR2 (0.51) KMT2AMEN1TP53ALDH1A1KDM4E
SCHEMBL31473290 0.75 TSHR (0.44) KMT2AMEN1TP53ALDH1A1HTT

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