SCHEMBL6529477

SCHEMBL6529477

COc1cccc2[nH]c(-c3ccc(NC(=O)Nc4ccc(-c5nc6c(OC)cccc6[nH]5)cc4)cc3)nc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 11/20 1.00
KDM4E B2RXH2 2/20 0.59
NPC1 O15118 2/20 0.59
ALDH1A1 P00352 2/20 0.59
TP53 P04637 2/20 0.59
HPGD P15428 2/20 0.59
RAB9A P51151 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
HSD17B10 Q99714 2/20 0.59
PARP1 P09874 4/20 0.55
DHODH Q02127 2/20 0.55
MAOB P27338 1/20 0.52
ADORA2A P29274 1/20 0.52
PLA2G2A P14555 1/20 0.52
ALOX15 P16050 1/20 0.52
PTGS2 P35354 1/20 0.52
MAPT P10636 1/20 0.51
PKN1 Q16512 1/20 0.50
PKN2 Q16513 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
SCHEMBL6527816 0.93 HPSE (1.00) HPSEKDM4ENPC1ALDH1A1HPGD
SCHEMBL6529350 0.83 HPSE (1.00) HPSEKDM4ENPC1ALDH1A1TP53
SCHEMBL25674602 0.80 HPSE (0.78) HPSEKDM4ENPC1ALDH1A1HPGD
SCHEMBL20597842 0.80 MGAM (0.68) HPSEKDM4ENPC1ALDH1A1TP53
SCHEMBL29625822 0.80 HPSE (0.65) HPSEKDM4ENPC1ALDH1A1TP53
SCHEMBL28027630 0.80 HPSE (0.65) HPSEKDM4ENPC1ALDH1A1TP53
SCHEMBL6530552 0.78 HPSE (0.64) HPSEALDH1A1TP53HPGDSMN1; SMN2
SCHEMBL1170818 0.78 CBFB (0.69) HPSEALDH1A1TP53HPGDSMN1; SMN2
SCHEMBL21705586 0.76 HPSE (0.62) HPSEALDH1A1TP53HPGDSMN1; SMN2
SCHEMBL31027953 0.76 HPSE (0.62) HPSEALDH1A1TP53HPGDSMN1; SMN2

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