SCHEMBL6504746

SCHEMBL6504746

CCOc1ccc(N=C=O)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
TDP1 Q9NUW8 2/20 0.43
HPGD P15428 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 2/20 0.42
CYP3A4 P08684 2/20 0.41
TRPA1 O75762 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 2/20 0.40
TSHR P16473 3/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
TP53 P04637 2/20 0.36
HTT P42858 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MYC P01106 1/20 0.36
WDR5 P61964 1/20 0.36

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
SCHEMBL10827257 0.85 CYP3A4 (0.44) MAPTTDP1HPGDL3MBTL1LMNA
SCHEMBL11533162 0.84 TDP1 (0.40) MAPTTDP1HPGDL3MBTL1CYP3A4
SCHEMBL29703185 0.82 CYP3A4 (0.54) MAPTTDP1HPGDLMNACYP3A4
SCHEMBL166652 0.82 CYP3A4 (0.54) MAPTTDP1HPGDLMNACYP3A4
SCHEMBL3306947 0.81 ALDH1A1 (0.47) TDP1HPGDLMNACYP3A4TRPA1
SCHEMBL17027575 0.81 MAPT (0.50) MAPTTDP1HPGDL3MBTL1CYP3A4
SCHEMBL1428432 0.81 TDP1 (0.56) MAPTTDP1HPGDL3MBTL1LMNA
SCHEMBL2157521 0.80 CYP3A4 (0.43) MAPTTDP1HPGDL3MBTL1LMNA
SCHEMBL11660774 0.78 MAPK1 (0.42) MAPTTDP1HPGDLMNACYP3A4
SCHEMBL11648440 0.77 ALDH1A1 (0.54) MAPTTDP1HPGDL3MBTL1CYP3A4

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-2005042495-A1 (BENZIMIDAZOL-2-YL)-PHENYL-PHENYL-UREA COMPOUNDS AND METHODS FOR INHIBITING HEPARANASE ACTIVITY IMCLONE SYSTEMS INCORPORATED (US) 2005-05-12 WO disclosed