SCHEMBL29678908

SCHEMBL29678908

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.61
FFAR1 O14842 2/20 0.54
HTR2A P28223 2/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
SRC P12931 1/20 0.44
CYP2D6 P10635 2/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
KCNH2 Q12809 1/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
MAPT P10636 4/20 0.43
MGAM O43451 2/20 0.43
GAA P10253 2/20 0.43
SI P14410 2/20 0.43
MGAM2 Q2M2H8 2/20 0.43
PKM P14618 1/20 0.43
TP53 P04637 2/20 0.41
RXFP1 Q9HBX9 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
SCHEMBL29678945 0.80 GPR84 (0.52) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL3867780 0.78 GPR84 (0.61) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL20037115 0.76 GPR84 (0.73) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL7005714 0.76 GPR84 (1.00) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL12671700 0.75 HTR2A (0.72) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL10070049 0.75 HTR2A (0.72) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL12671597 0.75 HTR2A (0.72) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL1272585 0.74 GPR84 (0.57) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL10870620 0.73 GPR84 (0.69) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL11709109 0.73 GPR84 (0.69) GPR84FFAR1HTR2AHTR2CHTR2B

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