SCHEMBL29326541

SCHEMBL29326541

COC(=O)c1ccc(Br)c2ccn(C(=O)OC(C)(C)C)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 1/20 0.36
NR1H2 P55055 2/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
NPC1 O15118 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
EED O75530 1/20 0.34
RBBP4 Q09028 1/20 0.34
SUZ12 Q15022 1/20 0.34
EZH2 Q15910 1/20 0.34
AEBP2 Q6ZN18 1/20 0.34
PKM P14618 2/20 0.34
USP30 Q70CQ3 2/20 0.34
UCHL1 P09936 1/20 0.34
ATR Q13535 1/20 0.33
ACLY P53396 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 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
SCHEMBL31056574 1.00 BUB1 (0.36) BUB1NR1H2KMT2AMEN1NPC1
SCHEMBL16337908 0.82 BUB1 (0.37) BUB1KMT2AACLYCYP1A2BCHE
SCHEMBL18486750 0.81 BUB1 (0.39) BUB1KMT2AMEN1NPC1HTT
SCHEMBL12700349 0.81 KMT2A (0.42) KMT2AMEN1NPC1HTTRAB9A
SCHEMBL23292085 0.80 BUB1 (0.38) BUB1KMT2AMEN1NPC1HTT
SCHEMBL30557232 0.80 BUB1 (0.38) BUB1KMT2AMEN1NPC1HTT
SCHEMBL31056884 0.77 BUB1 (0.35) BUB1NR1H2KMT2AMEN1EED
SCHEMBL29326532 0.77 BUB1 (0.35) BUB1NR1H2KMT2AMEN1EED
SCHEMBL2381706 0.76 NR4A2 (0.42) KMT2AMEN1HTTCYP1A2CYP2C19
SCHEMBL758764 0.76 ACLY (0.47) BUB1NR1H2KMT2AMEN1NPC1

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-2024148274-A1 COMPLEMENT INHIBITION APELLIS PHARMACEUTICALS, INC. (US) 2024-07-11 WO disclosed