SCHEMBL28068068

SCHEMBL28068068

COc1cc(NC(C)=O)c(OC=O)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
SAE1 Q9UBE0 1/20 0.42
UBA2 Q9UBT2 1/20 0.42
AAK1 Q2M2I8 1/20 0.41
PRKDC P78527 1/20 0.39
ATM Q13315 1/20 0.39
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38

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
SCHEMBL3545178 0.88 MEN1 (0.58) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL20373539 0.82 MEN1 (0.51) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL13841103 0.82 MEN1 (0.49) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL26654625 0.81 MEN1 (0.50) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL30665901 0.81 MEN1 (0.50) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL16431617 0.81 ALDH1A1 (0.48) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL527222 0.78 MEN1 (0.48) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL3958932 0.78 MEN1 (0.48) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL11638321 0.78 MEN1 (0.54) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL31096947 0.77 ALDH1A1 (0.47) MEN1KMT2AALDH1A1KDM4ELMNA

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-105636953-A 1,4-disubstituted pyridazine derivatives and their use for treating smn-deficiency-related conditions NOVARTIS AG 2016-06-01 CN disclosed