SCHEMBL7708348

SCHEMBL7708348

CC1=C(N)Nc2cc(C(N)(Cc3ccc([N+](=O)[O-])cc3)C(=O)OC(C)(C)C)ccc2O1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 1/20 0.35
MAPT P10636 7/20 0.33
POLB P06746 3/20 0.33
RECQL P46063 1/20 0.33
ALDH1A1 P00352 6/20 0.33
KDM4E B2RXH2 2/20 0.33
NR3C2 P08235 1/20 0.32
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
LNPEP Q9UIQ6 1/20 0.31
PRKCZ Q05513 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
GAA P10253 2/20 0.30

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
SCHEMBL7711363 0.90 EPHX2 (0.30)
SCHEMBL7708186 0.89
SCHEMBL7708351 0.87
SCHEMBL7704963 0.87 CYP3A4 (0.34) LMNAGAA
SCHEMBL7704909 0.87 MMP8 (0.31) SMN1; SMN2
SCHEMBL7713432 0.87 PTPN1 (0.34)
SCHEMBL7711326 0.86 GAA (0.30) GAA
SCHEMBL7704899 0.81 PKM (0.35) POLBKDM4ESMN1; SMN2
SCHEMBL7711245 0.81 LTB4R (0.33) POLBALDH1A1PPARGNPSR1LMNA
SCHEMBL7711358 0.81 ACE2 (0.34) MAPTALDH1A1KDM4ENPSR1GAA

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
US-6365736-B1 TREATMENT OF NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS AND FOR ACTIVITY AS NO-SYNTHASES (NOS) INHIBITORS. SCHERING AKTIENGESELLSCHAFT (DE) 2002-04-02 US disclosed