SCHEMBL29612543

SCHEMBL29612543

O=[N+]([O-])c1cc(Cl)c(Oc2ccc3nc(Cl)ccc3c2)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
KDM4E B2RXH2 1/20 0.41
PDE7A Q13946 1/20 0.39
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
MERTK Q12866 1/20 0.39
PIN1 Q13526 1/20 0.38
HSD17B10 Q99714 1/20 0.37
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
HTT P42858 2/20 0.36
PPARG P37231 2/20 0.36
CYP3A4 P08684 2/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL23042410 1.00 HDAC1 (0.43) HDAC1HDAC8HDAC6KDM4EPDE7A
SCHEMBL23042415 0.87 HTT (0.43) HDAC1HDAC8HDAC6KDM4EPDE7A
SCHEMBL29612474 0.83 HDAC1 (0.39) HDAC1HDAC8HDAC6KDM4EPDE7A
SCHEMBL23042369 0.83 HDAC1 (0.39) HDAC1HDAC8HDAC6KDM4EPDE7A
SCHEMBL29612551 0.82 PPARG (0.53) KDM4EALDH1A1MEN1KMT2APIN1
SCHEMBL28730677 0.82 PPARG (0.53) KDM4EALDH1A1MEN1KMT2APIN1
SCHEMBL11291316 0.82 PIN1 (0.51) KDM4EPDE7AALDH1A1MEN1KMT2A
SCHEMBL10966065 0.80 KDM4E (0.43) HDAC1HDAC8HDAC6KDM4EPDE7A
SCHEMBL23042417 0.78 MEN1 (0.41) KDM4EPDE7AALDH1A1MEN1KMT2A
SCHEMBL29612527 0.78 MAPT (0.50) HDAC1HDAC8HDAC6KDM4EPDE7A

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-114430743-A Thyroid hormone receptor beta agonist compounds 拓臻制药公司 2022-05-03 CN disclosed