SCHEMBL28448772

SCHEMBL28448772

CN(C)c1c(Cl)c(Cl)cc(Oc2cc(C(=O)O)c([N+](=O)[O-])cc2[N+](=O)[O-])c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TTR P02766 2/20 0.38
PPOX P50336 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 2/20 0.37
GLA P06280 1/20 0.37
HPSE Q9Y251 1/20 0.37
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MERTK Q12866 1/20 0.36
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HCAR3 P49019 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TSHR P16473 1/20 0.35
PKM P14618 1/20 0.34
GAA P10253 1/20 0.34
POLB P06746 2/20 0.34

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
SCHEMBL28440598 0.86 LMNA (0.40) LMNAMEN1KMT2ATTRPPOX
SCHEMBL28446764 0.82 ALDH1A1 (0.41) LMNAMEN1KMT2ATTRPPOX
SCHEMBL28448999 0.79 MAPT (0.45) LMNAMEN1KMT2ATTRPPOX
SCHEMBL28451073 0.78 KDM4E (0.44) LMNAMEN1KMT2ATTRPPOX
SCHEMBL28456608 0.76 TDP1 (0.49) LMNAMEN1KMT2ATTRPPOX
SCHEMBL28615485 0.75 KDM4E (0.50) LMNAMEN1KMT2ATTRTDP1
SCHEMBL28447405 0.74 KMT2A (0.40) LMNAMEN1KMT2ATTRPPOX
SCHEMBL28625744 0.73 MAPT (0.51) LMNAMEN1KMT2ATTRPPOX
SCHEMBL28054855 0.72 MEN1 (0.46) LMNAMEN1KMT2ATTRPPOX
SCHEMBL10789316 0.72 LMNA (0.44) LMNAMEN1KMT2ATTRPPOX

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-106831614-B Substituted benzodiazacyclo compound and its preparation method and use 清华大学 2020-07-28 CN disclosed