SCHEMBL6566879

SCHEMBL6566879

CC(C)(C)N(I)C(=O)Nc1cc(Cl)c(O)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.43
APEX1 P27695 1/20 0.41
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
MCL1 Q07820 1/20 0.40
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
P2RX5 Q93086 1/20 0.38
P2RX4 Q99571 1/20 0.38
P2RX7 Q99572 1/20 0.38
P2RX2 Q9UBL9 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
POLB P06746 2/20 0.37
GAA P10253 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
TTR P02766 2/20 0.35
TSHR P16473 1/20 0.34
HTT P42858 2/20 0.34

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
SCHEMBL4343702 0.81 DHODH (0.43) DHODHAPEX1MAPTNPC1MCL1
SCHEMBL10883879 0.78 APEX1 (0.66) DHODHAPEX1MAPTNPC1MCL1
SCHEMBL9402610 0.74 GAA (0.59) DHODHMAPTNPC1MCL1ALDH1A1
SCHEMBL6565554 0.73 RAB9A (0.46) DHODHAPEX1MAPTNPC1MCL1
SCHEMBL6568602 0.73 MAPT (0.48) DHODHAPEX1MAPTNPC1MCL1
SCHEMBL4350367 0.71 HTT (0.62) DHODHAPEX1MAPTNPC1MCL1
SCHEMBL6566913 0.71 LMNA (0.59) DHODHMAPTNPC1MCL1ALDH1A1
SCHEMBL6567241 0.70 EPHX1 (0.59) DHODHMAPTNPC1MCL1ALDH1A1
SCHEMBL6567606 0.70 L3MBTL1 (0.53) DHODHMAPTNPC1MCL1HPGD
SCHEMBL282268 0.70 DHODH (0.45) DHODHMAPTNPC1MCL1ALDH1A1

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
EP-1402887-A1 New compounds for the inhibition of undesired cell proliferation and use thereof Jerini AG (DE) 2004-03-31 EP claimed