SCHEMBL8737486

SCHEMBL8737486

C=C(C)S(=O)(=O)Cc1ccc(OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 2/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 1/20 0.44
PLCG1 P19174 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.43
HTT P42858 2/20 0.43
LDHA P00338 1/20 0.43
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
ALOX12 P18054 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA5A P35218 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
SCHEMBL7598516 0.85 APLNR (0.49) APLNRKMT2AMAPTPLCG1SMN1; SMN2
SCHEMBL1259871 0.77 APLNR (0.52) APLNRKMT2APLCG1SMN1; SMN2HTT
SCHEMBL294920 0.77 APLNR (0.52) APLNRKMT2APLCG1MEN1HTT
SCHEMBL2717301 0.77 KMT2A (0.57) APLNRKMT2APLCG1SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL28180679 0.76 APLNR (0.50) APLNRKMT2APLCG1MEN1HTT
SCHEMBL294919 0.75 APLNR (0.53) APLNRKMT2APLCG1SMN1; SMN2HTT
SCHEMBL3237396 0.75 PKM (0.56) APLNRKMT2APLCG1SMN1; SMN2MEN1
SCHEMBL30496480 0.75 PKM (0.56) APLNRKMT2APLCG1SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL27633192 0.75 KMT2A (0.55) APLNRKMT2APLCG1SMN1; SMN2MEN1
SCHEMBL2377998 0.75 APLNR (0.58) APLNRKMT2APLCG1SMN1; SMN2HTT

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-2455382-A1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors Incyte Corporation (US) 2012-05-23 EP disclosed