SCHEMBL9070592

SCHEMBL9070592

COC(=O)CCc1c(C(=O)c2ccc(Cl)cc2)oc2ccc(NC(C)=O)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.45
ALDH1A1 P00352 5/20 0.45
MAPK1 P28482 3/20 0.45
NPSR1 Q6W5P4 5/20 0.42
MAPT P10636 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 2/20 0.40
POLB P06746 1/20 0.40
RAD52 P43351 1/20 0.40
PKM P14618 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
THRB P10828 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
SCHEMBL9070589 0.92 CA12 (0.43) KDM4EALDH1A1MAPK1NPSR1MAPT
SCHEMBL8307015 0.90 KDM4E (0.46) KDM4EALDH1A1MAPK1NPSR1MAPT
SCHEMBL27445438 0.85 SMN1; SMN2 (0.46) KDM4EALDH1A1MAPK1NPSR1MAPT
SCHEMBL8306870 0.83 ALDH1A1 (0.39) KDM4EALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL8554644 0.82 ALDH1A1 (0.40) KDM4EALDH1A1MAPK1NPSR1MAPT
SCHEMBL16541035 0.82 MAPT (0.48) KDM4EALDH1A1MAPK1NPSR1MAPT
SCHEMBL8307013 0.82 ALDH1A1 (0.45) KDM4EALDH1A1MAPK1NPSR1MAPT
SCHEMBL8326230 0.79 CYP19A1 (0.44) KDM4EALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL679245 0.79 ALDH1A1 (0.46) KDM4EALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL27445439 0.78 SMN1; SMN2 (0.43) KDM4EALDH1A1NPSR1MAPTSMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7330751-A None JP disclosed
JP-8003154-A None JP disclosed
JP-H083154-A OXALYLAMINO-BENZOFURAN AND BENZOTHIENYL DERIVATIVE BAYER AG 1996-01-09 JP disclosed
JP-H07330751-A AMINO-BENZOFURYL-AND THIENYL-DERIVATIVE BAYER AG 1995-12-19 JP disclosed