SCHEMBL6265383

SCHEMBL6265383

Cc1cccc2[nH]c(-c3ccc(NC(=O)c4ccccc4)cc3)nc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 5/20 0.76
KDM4E B2RXH2 3/20 0.74
ALDH1A1 P00352 3/20 0.74
HPGD P15428 3/20 0.74
NPC1 O15118 3/20 0.74
RAB9A P51151 3/20 0.74
TP53 P04637 2/20 0.74
SMN1; SMN2 Q16637 2/20 0.74
HSD17B10 Q99714 2/20 0.74
MAPT P10636 2/20 0.69
MMP2 P08253 5/20 0.68
MMP9 P14780 5/20 0.68
MMP8 P22894 5/20 0.68
MMP13 P45452 5/20 0.68
PRMT5 O14744 1/20 0.66
MGAM O43451 3/20 0.59
GAA P10253 3/20 0.59
SI P14410 3/20 0.59
MGAM2 Q2M2H8 3/20 0.59
LMNA P02545 1/20 0.56

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
SCHEMBL13963958 0.92 HPSE (0.74) HPSEKDM4EALDH1A1HPGDNPC1
SCHEMBL8768923 0.90 HPSE (0.71) HPSEKDM4EALDH1A1HPGDNPC1
SCHEMBL6529350 0.86 HPSE (1.00) HPSEKDM4EALDH1A1HPGDNPC1
SCHEMBL13405867 0.85 KDM4E (1.00) HPSEKDM4EALDH1A1HPGDNPC1
SCHEMBL6585826 0.83 HPSE (0.67) HPSEKDM4EALDH1A1HPGDNPC1
SCHEMBL2242293 0.81 MMP2 (1.00) HPSEKDM4EALDH1A1HPGDNPC1
SCHEMBL7945641 0.81 MGAM (0.69) HPSEKDM4EALDH1A1HPGDNPC1
SCHEMBL11703118 0.80 MAOB (0.71) HPSEKDM4ENPC1RAB9ATP53
SCHEMBL6244081 0.80 PRMT5 (1.00) HPSENPC1RAB9AMMP2MMP9
SCHEMBL30615069 0.79 MGAM (0.76) HPSEKDM4EALDH1A1HPGDNPC1

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-2005030206-A1 ARYL-1,3-AZOLE DERIVATIVES AND METHODS FOR INHIBITING HEPARNASE ACTIVITY IMCLONE SYSTEMS INCORPORATED (US) 2005-04-07 WO disclosed