SCHEMBL27677809

SCHEMBL27677809

CCNC(=O)Oc1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.48
LMNA P02545 3/20 0.48
POLB P06746 1/20 0.48
ALDH1A1 P00352 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 4/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
PDE7A Q13946 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
S1PR4 O95977 1/20 0.45
G6PD P11413 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44

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
SCHEMBL11644003 0.85 SMN1; SMN2 (0.51) SMN1; SMN2LMNAPOLBALDH1A1NPC1
SCHEMBL27472206 0.82 LMNA (0.49) SMN1; SMN2LMNAPOLBALDH1A1NPC1
SCHEMBL3275420 0.82 NPC1 (0.56) SMN1; SMN2LMNAALDH1A1NPC1RAB9A
SCHEMBL27405293 0.82 LMNA (0.51) SMN1; SMN2LMNAPOLBALDH1A1NPC1
SCHEMBL7683695 0.81 KDM4E (0.52) SMN1; SMN2LMNAPOLBALDH1A1NPC1
SCHEMBL22120407 0.80 KMT2A (0.53) SMN1; SMN2LMNAPOLBALDH1A1NPC1
SCHEMBL27633813 0.80 SMN1; SMN2 (0.54) SMN1; SMN2LMNAPOLBALDH1A1NPC1
SCHEMBL7683703 0.78 ALDH1A1 (0.49) SMN1; SMN2LMNAPOLBALDH1A1NPC1
SCHEMBL7683699 0.78 ALDH1A1 (0.49) SMN1; SMN2LMNAPOLBALDH1A1NPC1
SCHEMBL6175335 0.78 TDP1 (0.47) SMN1; SMN2LMNAKMT2AMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1878750-B Arylalkylcarbamate derivatives, preparation thereof and use thereof in therapeutics SANOFI AVENTIS 2011-04-20 CN disclosed
CN-1878750-A Arylalkylcarbamate derivatives, preparation thereof and use thereof in therapeutics SANOFI AVENTIS (FR) 2006-12-13 CN disclosed