SCHEMBL13664957

SCHEMBL13664957

CCC(=O)c1oc2ccccc2c1N

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.66
AHR P35869 2/20 0.66
MAPT P10636 9/20 0.59
NPC1 O15118 7/20 0.59
KMT2A Q03164 3/20 0.59
SMN1; SMN2 Q16637 6/20 0.57
RAB9A P51151 5/20 0.57
TDP1 Q9NUW8 2/20 0.54
POLB P06746 2/20 0.54
ALDH1A1 P00352 3/20 0.54
MEN1 O00255 2/20 0.54
HPGD P15428 2/20 0.54
HCRTR1 O43613 1/20 0.50
TSHR P16473 1/20 0.50
CASP1 P29466 1/20 0.50
USP2 O75604 1/20 0.50
NFKB1 P19838 1/20 0.50
HTT P42858 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50

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
SCHEMBL7560962 0.83 KDM4E (0.65) KDM4EAHRMAPTNPC1KMT2A
SCHEMBL7030842 0.81 KCNH2 (0.68) KDM4EAHRNPC1KMT2ASMN1; SMN2
SCHEMBL6857835 0.81 KDM4E (0.68) KDM4EAHRMAPTNPC1KMT2A
SCHEMBL30168106 0.81 KDM4E (0.68) KDM4EAHRMAPTNPC1KMT2A
SCHEMBL13744783 0.81 MAPT (0.60) KDM4EAHRMAPTNPC1KMT2A
SCHEMBL27947376 0.81 MAPT (0.54) KDM4EAHRMAPTNPC1KMT2A
SCHEMBL585270 0.80 KDM4E (1.00) KDM4EAHRMAPTNPC1KMT2A
SCHEMBL29502916 0.80 KDM4E (1.00) KDM4EAHRMAPTNPC1KMT2A
SCHEMBL1006030 0.79 MAPT (0.67) KDM4EAHRMAPTNPC1KMT2A
SCHEMBL2774740 0.79 MAPT (0.72) KDM4EAHRMAPTNPC1KMT2A

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
US-7605158-B2 Carbamoyl-type benzofuran derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-20 US disclosed