SCHEMBL3433157

SCHEMBL3433157

Cc1cn(-c2ccc(N)cc2F)cn1.Cc1cn(-c2ccc([N+](=O)[O-])cc2F)cn1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 3/20 0.41
TLR2 O60603 3/20 0.41
TLR1 Q15399 3/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 4/20 0.40
THRB P10828 1/20 0.40
S1PR4 O95977 1/20 0.39
CYP3A4 P08684 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 2/20 0.38
TSHR P16473 1/20 0.38
PDE7A Q13946 1/20 0.37
USP30 Q70CQ3 1/20 0.37
RAB9A P51151 1/20 0.36
TLR9 Q9NR96 1/20 0.36
NR2E1 Q9Y466 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
SCHEMBL1617550 0.93 ALDH1A1 (0.47) ALDH1A1KMT2ATLR2TLR1LMNA
SCHEMBL1616928 0.86 NR2E1 (0.46) ALDH1A1LMNAMAPTCYP3A4TDP1
SCHEMBL23292585 0.82 TLR2 (0.49) ALDH1A1KMT2ATLR2TLR1LMNA
SCHEMBL1616767 0.79 ALDH1A1 (0.49) ALDH1A1KMT2ATLR2TLR1LMNA
SCHEMBL3431001 0.79 ALDH1A1 (0.41) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL8475128 0.78 ALDH1A1 (0.50) ALDH1A1KMT2ATLR2TLR1LMNA
SCHEMBL8822091 0.78 ALDH1A1 (0.43) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL8822076 0.77 ALDH1A1 (0.47) ALDH1A1KMT2ATLR2TLR1LMNA
SCHEMBL20085597 0.77 ALDH1A1 (0.47) ALDH1A1KMT2ATLR2TLR1LMNA
SCHEMBL8034073 0.77 TLR2 (0.49) ALDH1A1TLR2TLR1MAPTTHRB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257541-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-12-08 EP disclosed
WO-2009103652-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 WO disclosed
EP-1286998-A1 OXAZOLIDINONE DERIVATIVES WITH ANTIBIOTIC ACTIVITY AstraZeneca AB (SE) 2003-03-05 EP disclosed
WO-2001081350-A1 OXAZOLIDINONE DERIVATIVES WITH ANTIBIOTIC ACTIVITY ASTRAZENECA AB (SE) 2001-11-01 WO disclosed