SCHEMBL21032138

SCHEMBL21032138

O=S1(=O)CC(I)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
GPR3 P46089 1/20 0.33
PLCG1 P19174 1/20 0.32
SLC10A2 Q12908 4/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NOX1 Q9Y5S8 1/20 0.30

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
SCHEMBL19117718 0.75 SLC6A2 (0.40) SLC6A2SLC6A4GPR3PLCG1SLC10A2
SCHEMBL10858571 0.75 SLC6A2 (0.38) SLC6A2SLC6A4GPR3PLCG1SLC10A2
SCHEMBL21266523 0.75 SLC6A2 (0.40) SLC6A2SLC6A4GPR3PLCG1SLC10A2
SCHEMBL12180971 0.75 SLC6A2 (0.40) SLC6A2SLC6A4GPR3PLCG1SLC10A2
SCHEMBL10192537 0.75 SLC6A2 (0.38) SLC6A2SLC6A4GPR3PLCG1SLC10A2
Hydrochloric Acid SCHEMBL30989920 0.73 SLC6A2 (0.37) SLC6A2SLC6A4GPR3SLC10A2
Hydrochloric Acid SCHEMBL30989811 0.73 SLC6A2 (0.37) SLC6A2SLC6A4GPR3SLC10A2
SCHEMBL28531504 0.72 PTGDR2 (0.40) SLC6A2SLC6A4SLC10A2PTGDR2MEN1
SCHEMBL13059126 0.72 SLC6A2 (0.39) SLC6A2SLC6A4GPR3PLCG1SLC10A2
SCHEMBL21032699 0.71 SLC6A2 (0.35) SLC6A2SLC6A4GPR3PLCG1SLC10A2

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
EP-3489233-B1 INDOLE DERIVATIVE USED AS CRTH2 INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2022-01-12 EP disclosed
EP-3489233-A1 INDOLE DERIVATIVE USED AS CRTH2 INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2019-05-29 EP disclosed