SCHEMBL29678902

SCHEMBL29678902

COc1ccccc1C(c1c[nH]c2ccccc12)S(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
MGAM O43451 2/20 0.43
GAA P10253 2/20 0.43
SI P14410 2/20 0.43
MGAM2 Q2M2H8 2/20 0.43
MEN1 O00255 8/20 0.42
KMT2A Q03164 8/20 0.42
TDP1 Q9NUW8 2/20 0.42
IDO1 P14902 1/20 0.40
NR3C1 P04150 1/20 0.40
PGR P06401 1/20 0.40
NR3C2 P08235 1/20 0.40
AR P10275 1/20 0.40
GPR84 Q9NQS5 3/20 0.39
FFAR1 O14842 2/20 0.39
CTNNB1 P35222 1/20 0.39
WNT3A P56704 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL29678814 0.90 MAPT (0.55) MAPTNPSR1MGAMGAASI
SCHEMBL29678752 0.89 MAPT (0.52) MAPTNPSR1MGAMGAASI
SCHEMBL29678778 0.86 IDO1 (0.47) MAPTNPSR1MGAMGAASI
SCHEMBL29678695 0.81 MAPT (0.55) MAPTNPSR1MGAMGAASI
SCHEMBL29678961 0.81 MAPT (0.45) MAPTNPSR1MGAMGAASI
SCHEMBL29678900 0.80 NR3C1 (0.46) MAPTNPSR1MGAMGAASI
SCHEMBL29679111 0.79 MAPT (0.44) MAPTNPSR1MGAMGAASI
SCHEMBL950269 0.76 MGAM (0.49) MAPTMGAMGAASIMGAM2
SCHEMBL29678809 0.76 NR3C1 (0.46) MAPTNPSR1MGAMGAASI
SCHEMBL29678804 0.76 MAPT (0.49) MAPTNPSR1MGAMGAASI

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