SCHEMBL6880468

SCHEMBL6880468

[NH]c1ccc(NC(=N)N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
TMPRSS6 Q8IU80 1/20 0.43
ST14 Q9Y5Y6 1/20 0.43
PEPD P12955 1/20 0.38
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 1/20 0.37
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPT P10636 2/20 0.34
RAB9A P51151 1/20 0.34
TP53 P04637 1/20 0.34
TYR P14679 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL1996992 0.89 F2 (0.50) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL4629955 0.83 F2 (0.42) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL399197 0.82 KIF11 (0.48) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL447770 0.80 PEPD (0.60) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL1438380 0.80 MAPT (0.56) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL1184889 0.78 SIGMAR1 (0.53) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL1186622 0.78 NPC1 (0.61) F2ALDH1A1NPC1CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL10495490 0.78 MAPT (0.54) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL166139 0.78 KIF11 (0.55) NPC1CYP3A4CYP2C19MAPTRAB9A
SCHEMBL10815124 0.78 PRSS1 (0.69) F2PRSS1PRSS2PRSS3TMPRSS6

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
EP-0832091-B1 C-4' MODIFIED ADENOSINE KINASE INHIBITORS GENSIA SICOR INC (US) 2004-01-14 EP disclosed