SCHEMBL2232565

SCHEMBL2232565

CCCC/C(=C\C(=O)O)c1ccc(Oc2ccc([N+](=O)[O-])cn2)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.46
MAPT P10636 9/20 0.44
ALDH1A1 P00352 7/20 0.44
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
SMN1; SMN2 Q16637 8/20 0.43
POLB P06746 1/20 0.43
HSPB1 P04792 1/20 0.43
LMNA P02545 6/20 0.42
HTT P42858 3/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
RGS12 O14924 2/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL2236515 0.85 THRA (0.40) KDM4ESMN1; SMN2POLBKMT2AMEN1
SCHEMBL2232569 0.81 MAPT (0.54) PABPC1MAPTALDH1A1KDM4EL3MBTL1
SCHEMBL2230605 0.80 PPARG (0.43) MAPTALDH1A1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL3128839 0.79 HSPB1 (0.52) PABPC1MAPTALDH1A1KDM4EL3MBTL1
SCHEMBL2232561 0.75 MAPT (0.47) PABPC1MAPTALDH1A1KDM4EL3MBTL1
SCHEMBL2236528 0.74 THRA (0.41) KDM4EHSPB1LMNAHTTRAB9A
SCHEMBL14108436 0.73 MAPT (0.51) PABPC1MAPTALDH1A1KDM4EL3MBTL1
SCHEMBL13581938 0.73 MAPT (0.51) PABPC1MAPTALDH1A1KDM4EL3MBTL1
SCHEMBL13581940 0.73 MAPT (0.51) PABPC1MAPTALDH1A1KDM4EL3MBTL1
SCHEMBL13742200 0.72 MAPT (0.50) PABPC1MAPTALDH1A1KDM4EL3MBTL1

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