SCHEMBL6529784

SCHEMBL6529784

Cc1cc2nc(-c3ccc(N(C(N)=O)c4ccc(-c5nc6cc(C)c(C)cc6[nH]5)cc4)cc3)[nH]c2cc1C

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 1/20 0.61
GUSB P08236 8/20 0.52
CHEK2 O96017 9/20 0.51
MITF O75030 1/20 0.49
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
SIRT2 Q8IXJ6 1/20 0.46
SIRT1 Q96EB6 1/20 0.46

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
SCHEMBL6509847 0.81 TCF4 (0.52) HPSECHEK2
SCHEMBL6509068 0.80 CHEK2 (0.53) CHEK2
SCHEMBL6508734 0.80 KDM4E (0.59) HPSECHEK2
SCHEMBL6511295 0.78 MGAM (0.63) HPSE
SCHEMBL6325549 0.77 ALDH1A1 (0.68) HPSEGUSB
SCHEMBL7393557 0.77 GUSB (0.79) HPSEGUSB
SCHEMBL11331915 0.77 HPSE (0.65) HPSEGUSBCHEK2MITFOPRM1
SCHEMBL25722414 0.77 HPSE (0.64) HPSEGUSBCHEK2
Hydrochloric Acid SCHEMBL10736606 0.76 GUSB (0.77) HPSEGUSB
SCHEMBL6530825 0.76 HPSE (1.00) HPSEGUSB

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