SCHEMBL5742335

SCHEMBL5742335

COC(C)c1[c]ccc([N+](=O)[O-])c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.39
TDP1 Q9NUW8 4/20 0.38
TSHR P16473 4/20 0.37
ALDH1A1 P00352 5/20 0.37
ACHE P22303 1/20 0.36
CYP3A4 P08684 2/20 0.35
HSP90AA1 P07900 1/20 0.35
CYP19A1 P11511 2/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
NFE2L2 Q16236 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL4390254 0.83 TSHR (0.42) LMNASMN1; SMN2HTTTDP1TSHR
SCHEMBL5486291 0.82 ALDH1A1 (0.39) LMNASMN1; SMN2HTTALDH1A1RECQL
SCHEMBL2298630 0.80 TSHR (0.39) LMNASMN1; SMN2HTTTDP1TSHR
SCHEMBL10914343 0.80 TSHR (0.39) LMNASMN1; SMN2TDP1TSHRALDH1A1
SCHEMBL10914346 0.80 TSHR (0.39) LMNASMN1; SMN2TDP1TSHRALDH1A1
SCHEMBL28850127 0.76 TSHR (0.42) LMNASMN1; SMN2TDP1TSHRALDH1A1
SCHEMBL2685223 0.73 HTT (0.47) LMNASMN1; SMN2HTTTDP1TSHR
SCHEMBL4527774 0.72 CYP19A1 (0.43) LMNASMN1; SMN2HTTTDP1TSHR
SCHEMBL11208136 0.70 TSHR (0.53) LMNASMN1; SMN2HTTTDP1TSHR
SCHEMBL30780978 0.70 TSHR (0.53) LMNASMN1; SMN2HTTTDP1TSHR

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-1340753-B1 CARBAMATE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2006-01-11 EP disclosed