SCHEMBL2232569

SCHEMBL2232569

CCCCC(=Cc1ccc(Oc2ccc([N+](=O)[O-])cn2)c(Cl)c1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.54
ALDH1A1 P00352 6/20 0.54
KDM4E B2RXH2 4/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
SMN1; SMN2 Q16637 9/20 0.49
LMNA P02545 7/20 0.49
HTT P42858 4/20 0.49
POLB P06746 3/20 0.48
PABPC1 P11940 1/20 0.47
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
RAB9A P51151 2/20 0.45
HPGD P15428 2/20 0.45
BLM P54132 1/20 0.43
HSPB1 P04792 1/20 0.42
RGS12 O14924 2/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
TP53 P04637 1/20 0.41
ALOX5 P09917 1/20 0.40

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
SCHEMBL2236518 0.85 ALOX5 (0.43) KDM4EPOLBALOX5
SCHEMBL2232565 0.81 PABPC1 (0.46) MAPTALDH1A1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL2232561 0.79 MAPT (0.47) MAPTALDH1A1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL13581938 0.78 MAPT (0.51) MAPTALDH1A1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL14108436 0.78 MAPT (0.51) MAPTALDH1A1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL13581940 0.78 MAPT (0.51) MAPTALDH1A1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL2230608 0.77 MAPT (0.44) MAPTALDH1A1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL6367735 0.75 ALOX5 (0.47) MAPTALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL2236531 0.74 ALOX5 (0.43) ALOX5
SCHEMBL2235014 0.74 MEN1 (0.43) MEN1KMT2AALOX5

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
WO-2011093524-A1 DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-08-04 WO disclosed