SCHEMBL14403263

SCHEMBL14403263

COc1ccc(OC)c(S(=O)(=O)Nc2cccc(F)c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 1.00
KMT2A Q03164 3/20 0.70
GAA P10253 1/20 0.70
MAPK1 P28482 1/20 0.70
ALDH1A1 P00352 3/20 0.67
NPSR1 Q6W5P4 1/20 0.64
ALPL P05186 2/20 0.64
LMNA P02545 2/20 0.63
MEN1 O00255 2/20 0.63
ALOX12 P18054 1/20 0.63
MAPT P10636 1/20 0.63
TP53 P04637 2/20 0.62
HTT P42858 1/20 0.59
POLB P06746 1/20 0.58

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
SCHEMBL7536903 0.85 LMNA (0.75) SMN1; SMN2KMT2AGAAMAPK1ALDH1A1
SCHEMBL7532258 0.84 TP53 (0.78) SMN1; SMN2KMT2AGAAMAPK1ALDH1A1
SCHEMBL12368218 0.84 SMN1; SMN2 (0.73) SMN1; SMN2KMT2AGAAMAPK1ALDH1A1
SCHEMBL18530465 0.82 SMN1; SMN2 (0.79) SMN1; SMN2KMT2AGAAMAPK1ALDH1A1
SCHEMBL12368214 0.81 SMN1; SMN2 (0.68) SMN1; SMN2KMT2AGAAMAPK1ALDH1A1
SCHEMBL12391678 0.81 SMN1; SMN2 (0.68) SMN1; SMN2KMT2AGAAMAPK1ALDH1A1
SCHEMBL12368213 0.80 SMN1; SMN2 (0.67) SMN1; SMN2KMT2AGAAMAPK1ALDH1A1
SCHEMBL16815088 0.80 SMN1; SMN2 (0.66) SMN1; SMN2KMT2AALPLLMNAMEN1
SCHEMBL13852840 0.79 SMN1; SMN2 (0.65) SMN1; SMN2KMT2AGAAMAPK1ALDH1A1
SCHEMBL13853023 0.79 SMN1; SMN2 (0.66) SMN1; SMN2KMT2AGAAMAPK1ALDH1A1

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-2007112998-A1 3-UNSUBSTITUTED N-(ARYL- OR HETEROARVL)-PYRAZOLORI [1,5-A]PYRIMIDINES AS KINASE INHIBITORS NOVARTIS AG (CH) 2007-10-11 WO disclosed