SCHEMBL23318253

SCHEMBL23318253

Cn1ncc(N)c(Br)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 7/20 0.43
BPTF Q12830 6/20 0.43
BRD9 Q9H8M2 5/20 0.43
MTOR P42345 1/20 0.43
TRPC5 Q9UL62 1/20 0.37
BRD1 O95696 1/20 0.35
ACHE P22303 1/20 0.35
BRPF1 P55201 1/20 0.35
KAT2A Q92830 1/20 0.35
BRD7 Q9NPI1 1/20 0.35
BAZ2B Q9UIF8 1/20 0.35
BRPF3 Q9ULD4 1/20 0.35
ALDH1A1 P00352 3/20 0.34
BRD4 O60885 2/20 0.33
NPC1 O15118 2/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
XBP1 P17861 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL4292263 0.78 NPC1 (0.50) KAT2BBPTFBRD9MTORTRPC5
SCHEMBL2964987 0.78 KAT2B (0.41) KAT2BBPTFBRD9MTORALDH1A1
SCHEMBL31735389 0.77 BRD9 (0.42) KAT2BBPTFBRD9BRPF1BRD7
SCHEMBL17912381 0.75 KAT2B (0.47) KAT2BBPTFBRD9MTORTRPC5
SCHEMBL8281635 0.75 MTOR (0.43) KAT2BBPTFBRD9MTORTRPC5
SCHEMBL7010722 0.75 KAT2B (0.56) KAT2BBPTFBRD9KAT2ABRD7
SCHEMBL11274814 0.75 PLA2G1B (0.38) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL4498149 0.72 RAB9A (0.55) KAT2BBPTFBRD9MTORTRPC5
SCHEMBL10769084 0.70 RAB9A (0.71) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL27557716 0.68 BRD9 (0.34) KAT2BBPTFBRD9BRPF1KAT2A

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-2021087096-A1 P53 MODULATORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-05-06 WO disclosed