SCHEMBL19971444

SCHEMBL19971444

COc1ccc(-c2ccc3c(C(=O)O)cn(S(=O)(=O)c4cccnc4)c3c2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NR4A2 P43354 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C1 Q04828 1/20 0.39
PIK3CA P42336 2/20 0.39
PIK3CG P48736 2/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
ERN1 O75460 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37

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
SCHEMBL16619065 0.92 NR4A2 (0.49) MEN1KMT2ANR4A2PIK3CAPIK3CG
SCHEMBL19971462 0.88 LMNA (0.43) MEN1KMT2AAKR1C3AKR1C1PIK3CG
SCHEMBL19971365 0.87 AKR1C3 (0.42) MEN1KMT2ANR4A2AKR1C3AKR1C1
SCHEMBL16619135 0.82 HTR6 (0.38) PIK3CAPIK3CGERN1JAK2JAK1
SCHEMBL16618580 0.81 NR4A2 (0.50) MEN1KMT2ANR4A2LMNASMN1; SMN2
SCHEMBL16618555 0.79 KMT2A (0.52) MEN1KMT2ANR4A2PIK3CGLMNA
SCHEMBL19971360 0.79 AKR1C3 (0.56) MEN1KMT2AAKR1C3AKR1C1LMNA
SCHEMBL16618849 0.75 KMT2A (0.56) MEN1KMT2ANR4A2AKR1C3AKR1C1
SCHEMBL16990396 0.73 HTR6 (0.47) MEN1KMT2APIK3CA
SCHEMBL17971571 0.72 HTR6 (0.39) PIK3CAPIK3CGPTGES2PI4KA

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-3052484-B1 SULFONYLINDOLE DERIVATIVES AND METHOD FOR PREPARING THE SAME DAE WOONG PHARMA (KR) 2018-03-21 EP claimed