SCHEMBL5332268

SCHEMBL5332268

Cc1ncc([N+](=O)[O-])n1CCNC(=O)O

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.67
MAPK1 P28482 2/20 0.67
ALDH1A1 P00352 2/20 0.67
THRB P10828 1/20 0.67
TSHR P16473 1/20 0.67
CA1 P00915 10/20 0.64
CA2 P00918 10/20 0.64
CA9 Q16790 10/20 0.64
CA12 O43570 7/20 0.64
GLA P06280 1/20 0.60
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
ATM Q13315 1/20 0.56
KDM4E B2RXH2 1/20 0.53
MAPT P10636 1/20 0.53

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
SCHEMBL30988938 0.89 LMNA (0.60) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL4957501 0.89 LMNA (0.63) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL4957507 0.89 LMNA (0.63) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL11881911 0.85 LMNA (0.62) LMNAMAPK1ALDH1A1THRBTSHR
Carnidazole SCHEMBL637201 0.84 LMNA (0.60) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL12369632 0.84 CA1 (0.68) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL12290289 0.83 CA1 (0.55) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL11871538 0.83 MEN1 (0.55) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL5309855 0.82 LMNA (0.70) LMNAMAPK1ALDH1A1THRBTSHR
Metronidazole SCHEMBL3765189 0.82 LMNA (0.91) LMNAMAPK1ALDH1A1THRBTSHR

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-2007027878-A2 4-SUBSTITUTED 2-ARYLOXYPHENOL DERIVATIVES AS ANTIBACTERIAL AGENTS EMERGENT PRODUCT DEVELOPMENT GAITHERSBURG INC. (US) 2007-03-08 WO claimed