SCHEMBL6598097

SCHEMBL6598097

Cc1nn(-c2cccc3ncccc23)nc1OC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.42
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
MAPT P10636 3/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 3/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37
PTK2B Q14289 1/20 0.37
MALT1 Q9UDY8 1/20 0.37
PABPC1 P11940 1/20 0.37
EIF4H Q15056 1/20 0.37
FABP5 Q01469 1/20 0.36
NSD2 O96028 1/20 0.36
ALDH1A1 P00352 3/20 0.36
SLC22A12 Q96S37 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL6313890 0.82 KDM4E (0.50) SLC9A1KMT2AMEN1PTGDR2MAPT
SCHEMBL6599323 0.77 SLC22A12 (0.40) KMT2AMAPTLMNACYP3A4CYP2C9
SCHEMBL3713540 0.75 SLC9A1 (0.60) SLC9A1KMT2AMEN1MAPTHTT
Hydrochloric Acid SCHEMBL6314064 0.74 SLC9A1 (0.59) SLC9A1KMT2AMEN1MAPTHTT
SCHEMBL3713536 0.72 SLC9A1 (0.42) SLC9A1KMT2AMEN1LMNAMALT1
SCHEMBL5245224 0.72 KDM4E (0.55) KMT2AMEN1MAPTLMNACYP3A4
Hydrochloric Acid SCHEMBL6314052 0.71 SLC9A1 (0.41) SLC9A1KMT2AMEN1LMNAMALT1
SCHEMBL6312201 0.71 SLC9A1 (0.45) SLC9A1KMT2AMEN1PTGDR2MAPT
SCHEMBL2308927 0.70 FABP5 (0.53) KMT2AMEN1MAPTHTTLMNA
SCHEMBL20028704 0.68 SLC9A1 (0.47) SLC9A1KMT2AMEN1PTGDR2MAPT

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-1056729-B1 N-[(SUBSTITUTED FIVE-MEMBERED DI- OR TRIAZA DIUNSATURATED RING)CARBONYL]GUANIDINE DERIVATIVES FOR THE TREATMENT OF ISCHEMIA PFIZER PROD INC (US) 2004-12-29 EP claimed