SCHEMBL29488339

SCHEMBL29488339

O=C(O)c1cccc(-n2cccn2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 2/20 0.59
LMNA P02545 2/20 0.56
HTT P42858 1/20 0.54
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
ALDH1A1 P00352 3/20 0.50
GAA P10253 3/20 0.50
KDM4E B2RXH2 2/20 0.50
HSD17B10 Q99714 2/20 0.50
HPGD P15428 2/20 0.50
MAPT P10636 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
USP2 O75604 1/20 0.50
MYC P01106 1/20 0.50
POLB P06746 1/20 0.50
HSPA1A P0DMV8 1/20 0.50
ALOX15 P16050 1/20 0.50
NR4A1 P22736 1/20 0.50

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
SCHEMBL940668 1.00 KAT6A (0.59) KAT6ALMNAHTTMEN1KMT2A
SCHEMBL5929327 0.88 KAT6A (0.56) KAT6ALMNAMEN1KMT2AALDH1A1
SCHEMBL2161445 0.87 LMNA (0.56) KAT6ALMNAKMT2AALDH1A1GAA
SCHEMBL31173853 0.87 LMNA (0.56) KAT6ALMNAKMT2AALDH1A1GAA
SCHEMBL9807573 0.85 KAT6A (0.54) KAT6ALMNAMEN1KMT2AALDH1A1
SCHEMBL27273126 0.85 KAT6A (0.54) KAT6ALMNAMEN1KMT2AALDH1A1
SCHEMBL16220632 0.85 KAT6A (0.54) KAT6ALMNAMEN1KMT2AALDH1A1
SCHEMBL6607286 0.83 LMNA (0.64) KAT6ALMNAHTTKMT2AALDH1A1
SCHEMBL1645251 0.83 LMNA (0.52) KAT6ALMNAHTTALDH1A1KDM4E
SCHEMBL27931328 0.83 ELANE (0.56) KAT6ALMNAKMT2AALDH1A1GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113164458-B Monoacylglycerol lipase modulators 詹森药业有限公司 2024-09-13 CN disclosed
CN-114206856-A Anti-malarial hexahydropyrimidine analogues UCB生物制药有限责任公司 2022-03-18 CN disclosed