SCHEMBL6530552

SCHEMBL6530552

COc1cccc2[nH]c(-c3ccc(N(C(N)=O)c4ccc(-c5nc6c(OC)cccc6[nH]5)cc4)cc3)nc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 2/20 0.64
PARP1 P09874 16/20 0.57
ALOX15 P16050 2/20 0.56
PLA2G2A P14555 1/20 0.56
PTGS2 P35354 1/20 0.56
TNKS O95271 1/20 0.48
TNKS2 Q9H2K2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48
CBFB Q13951 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
DHODH Q02127 1/20 0.48
MGAM O43451 1/20 0.47
GAA P10253 1/20 0.47
SI P14410 1/20 0.47

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
SCHEMBL6511295 0.84 MGAM (0.63) HPSEPARP1ALOX15PLA2G2APTGS2
SCHEMBL6529477 0.78 HPSE (1.00) HPSEPARP1ALOX15PLA2G2APTGS2
SCHEMBL20597842 0.78 MGAM (0.68) HPSEPARP1ALOX15PLA2G2APTGS2
SCHEMBL28027630 0.78 HPSE (0.65) HPSEPARP1ALOX15TNKSTNKS2
SCHEMBL29625822 0.78 HPSE (0.65) HPSEPARP1ALOX15TNKSTNKS2
SCHEMBL1170818 0.76 CBFB (0.69) HPSEPARP1ALOX15TNKSTNKS2
SCHEMBL6508734 0.76 KDM4E (0.59) HPSEALDH1A1TP53HPGDSMN1; SMN2
SCHEMBL21705586 0.75 HPSE (0.62) HPSEPARP1ALOX15PLA2G2APTGS2
SCHEMBL31027953 0.75 HPSE (0.62) HPSEPARP1ALOX15PLA2G2APTGS2
SCHEMBL28425038 0.74 TNKS (0.72) HPSEPARP1ALOX15TNKSTNKS2

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