SCHEMBL29029641

SCHEMBL29029641

CC(=O)c1ccc(C#N)c(OC(=O)c2cccc(Cl)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
KDM4E B2RXH2 3/20 0.47
GAA P10253 2/20 0.47
MAOA P21397 3/20 0.44
MAOB P27338 3/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
PKM P14618 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
GLA P06280 1/20 0.43
USP2 O75604 1/20 0.42
ALOX15 P16050 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
PGGT1B P53609 1/20 0.42

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
SCHEMBL21585883 0.81 FNTA (0.53) KMT2AKDM4EGAAMAOAMAOB
SCHEMBL13407509 0.79 PTGS2 (0.47) KMT2AKDM4EMAOBMAPTMEN1
SCHEMBL21585885 0.78 MAOB (0.65) MAOAMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL2236074 0.74 KMT2A (0.61) KMT2AMAOAMAOBMAPTNPC1
SCHEMBL23931574 0.74 PARP1 (0.63) KMT2AKDM4EGAAMAOAMAOB
SCHEMBL17187940 0.74 PARP1 (0.63) KMT2AKDM4EGAAMAOAMAOB
SCHEMBL54859 0.74 PARP1 (0.63) KMT2AKDM4EGAAMAOAMAOB
SCHEMBL7293099 0.73 ALDH1A1 (0.56) KMT2AKDM4ERAB9ASMN1; SMN2MEN1
SCHEMBL7339841 0.72 ALDH1A1 (0.44) KMT2AKDM4EMAPTRAB9ASMN1; SMN2
Ethylene SCHEMBL27342996 0.71 PARP1 (0.59) KMT2AKDM4EGAAMAOAMAOB

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-116217603-A New compounds 国家医疗保健研究所 2023-06-06 CN disclosed