SCHEMBL6511295

SCHEMBL6511295

Cc1cccc2[nH]c(-c3ccc(N(C(N)=O)c4ccc(-c5nc6c(C)cccc6[nH]5)cc4)cc3)nc12

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGAM O43451 9/20 0.63
GAA P10253 9/20 0.63
SI P14410 9/20 0.63
MGAM2 Q2M2H8 9/20 0.63
HPSE Q9Y251 2/20 0.62
KDM4E B2RXH2 2/20 0.60
NPC1 O15118 2/20 0.60
ALDH1A1 P00352 2/20 0.60
TP53 P04637 2/20 0.60
HPGD P15428 2/20 0.60
RAB9A P51151 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
HSD17B10 Q99714 2/20 0.60
PARP1 P09874 7/20 0.59
MAPT P10636 1/20 0.55
DHODH Q02127 1/20 0.51
PLA2G2A P14555 1/20 0.50
ALOX15 P16050 1/20 0.50
PTGS2 P35354 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
SCHEMBL6530552 0.84 HPSE (0.64) MGAMGAASIMGAM2HPSE
SCHEMBL6508734 0.79 KDM4E (0.59) GAAHPSEKDM4ENPC1ALDH1A1
SCHEMBL7945641 0.79 MGAM (0.69) MGAMGAASIMGAM2HPSE
SCHEMBL6529784 0.78 HPSE (0.61) HPSE
SCHEMBL6325053 0.78 GAA (0.72) MGAMGAASIMGAM2HPSE
SCHEMBL13133302 0.78 MGAM (1.00) MGAMGAASIMGAM2HPSE
SCHEMBL6056826 0.77 MGAM (0.77) MGAMGAASIMGAM2HPSE
SCHEMBL6529350 0.76 HPSE (1.00) MGAMGAASIMGAM2HPSE
SCHEMBL5074029 0.76 MGAM (0.76) MGAMGAASIMGAM2HPSE
SCHEMBL30615069 0.76 MGAM (0.76) MGAMGAASIMGAM2HPSE

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