SCHEMBL29678945

SCHEMBL29678945

CCC(c1c[nH]c2ccccc12)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.52
NR3C1 P04150 1/20 0.49
GAA P10253 4/20 0.47
MGAM O43451 3/20 0.47
SI P14410 3/20 0.47
MGAM2 Q2M2H8 3/20 0.47
FFAR1 O14842 2/20 0.47
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41

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
SCHEMBL27609016 0.88 NR3C1 (0.48) GPR84NR3C1GAAMGAMSI
SCHEMBL946518 0.81 MEN1 (0.52) GPR84NR3C1GAAMGAMSI
SCHEMBL29678908 0.80 GPR84 (0.61) GPR84GAAMGAMSIMGAM2
SCHEMBL29678756 0.80 GAA (0.51) GPR84NR3C1GAAMGAMSI
SCHEMBL29678938 0.79 GAA (0.50) GPR84NR3C1GAAMGAMSI
SCHEMBL29678809 0.78 NR3C1 (0.46) GPR84NR3C1GAAMGAMSI
SCHEMBL29678900 0.77 NR3C1 (0.46) GPR84NR3C1GAAMGAMSI
SCHEMBL29678752 0.75 MAPT (0.52) GPR84NR3C1GAAMGAMSI
SCHEMBL11347248 0.75 MAPT (0.42) GPR84NR3C1GAAMGAMSI
SCHEMBL28587999 0.74 L3MBTL1 (0.62) GPR84NR3C1GAAMGAMSI

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022131722-A1 NOVEL INDOLE DERIVATIVE, METHOD FOR PREPARING SAME, AND COMPOSITION FOR IMPROVING COGNITIVE FUNCTIONS COMPRISING SAME (주)케이메디켐 2022-06-23 WO claimed
WO-2022131722-A1 NOVEL INDOLE DERIVATIVE, METHOD FOR PREPARING SAME, AND COMPOSITION FOR IMPROVING COGNITIVE FUNCTIONS COMPRISING SAME (주)케이메디켐 2022-06-23 WO disclosed