SCHEMBL14050546

SCHEMBL14050546

O=S(=O)(Cc1cccc(NO)c1)N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL4431302 0.79 LMNA (0.52) LMNAMAPTSMN1; SMN2NPSR1ALDH1A1
SCHEMBL3778246 0.78 LMNA (0.71) LMNAMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL9612078 0.77 LMNA (0.50) LMNAMAPTSMN1; SMN2NPSR1ALDH1A1
SCHEMBL4431573 0.75 MEN1 (0.57) LMNAMAPTSMN1; SMN2ALDH1A1TSHR
SCHEMBL16509292 0.74 LMNA (0.45) LMNAMAPTSMN1; SMN2NPSR1ALDH1A1
SCHEMBL20246801 0.72 KMT2A (0.60) LMNAMAPTALDH1A1TSHRPOLB
SCHEMBL1098208 0.72 LIPG (0.48) LMNAMAPTSMN1; SMN2NPSR1ALDH1A1
SCHEMBL9612055 0.71 CA1 (0.52) ALDH1A1
SCHEMBL11090677 0.71 NEK2 (0.42)
SCHEMBL9400311 0.69 CNR1 (0.43) LMNAMAPTSMN1; SMN2NPSR1ALDH1A1

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-2008129080-A1 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2008-10-30 WO disclosed