SCHEMBL31473303

SCHEMBL31473303

Cn1ncc2c(=O)n(Nc3ccccc3)cnc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 8/20 0.43
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A2 O94788 2/20 0.42
ALDH1A3 P47895 2/20 0.42
BRD4 O60885 1/20 0.42
BPTF Q12830 1/20 0.42
KAT2B Q92831 1/20 0.42
BRD9 Q9H8M2 1/20 0.42
HTT P42858 2/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL31473293 0.88 HAVCR2 (0.51) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL31473290 0.86 TSHR (0.44) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL31473315 0.86 NPC1 (0.45) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL31473294 0.86 KDM4E (0.55) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL31473311 0.85 MEN1 (0.49) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL31473314 0.84 TP53 (0.52) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL31473323 0.83 MEN1 (0.47) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL31473285 0.83 KMT2A (0.47) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL31473322 0.83 KMT2A (0.47) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL31473316 0.83 KMT2A (0.47) MEN1KMT2AALDH1A1RAB9ANPC1

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