SCHEMBL6692679

SCHEMBL6692679

CCCCOc1ccc(NC(=O)NCCCl)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.58
▸ CA1 P00915 2/20 0.58
▸ CA2 P00918 2/20 0.58
▸ CA9 Q16790 2/20 0.58
▸ CA4 P22748 1/20 0.58
▸ CA7 P43166 1/20 0.58
▸ MAPT P10636 3/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ FAAH O00519 6/20 0.52
▸ HTT P42858 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ EPHX1 P07099 4/20 0.51
▸ EPHX2 P34913 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL6697390 0.97 CA12 (0.56) CA12CA1CA2CA9CA4
SCHEMBL6689381 0.96 FAAH (0.56) CA12CA1CA2CA9CA4
SCHEMBL6696313 0.88 MAPT (0.63) MAPTKMT2AMEN1POLBHPGD
SCHEMBL14593657 0.86 EPHX1 (0.67) KMT2AFAAHHTTEPHX1EPHX2
SCHEMBL5386322 0.86 EPHX1 (0.67) KMT2AFAAHHTTEPHX1EPHX2
SCHEMBL14593705 0.86 EPHX1 (0.67) KMT2AFAAHHTTEPHX1EPHX2
SCHEMBL14593707 0.86 EPHX1 (0.67) CA12CA1CA2CA9CA4
SCHEMBL27710648 0.85 CA12 (0.63) CA12CA1CA2CA9CA4
SCHEMBL3146895 0.82 FPR2 (0.66) CA12CA1CA2CA9CA4
SCHEMBL7288606 0.82 GAA (0.63) CA12CA1CA2CA9MAPT

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-2004106291-A1 HALOETHYL UREA COMPOUNDS AND THE USE THEREOF TO ATTENUATE, INHIBIT OR PREVENT CANCER CELL MIGRATION IMOTEP INC. (CA) 2004-12-09 — — WO disclosed
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