SCHEMBL30105367

SCHEMBL30105367

COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccn(S(=O)(=O)Cc3ccccc3)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TAS2R14 Q9NYV8 13/20 0.59
▸ CXCR3 P49682 3/20 0.57
▸ PTGES O14684 1/20 0.57
▸ TAS2R8 Q9NYW2 1/20 0.57
▸ CNR1 P21554 1/20 0.56
▸ CNR2 P34972 1/20 0.56
▸ MAPT P10636 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ BMP1 P13497 1/20 0.47

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
SCHEMBL2445958 0.79 TAS2R14 (0.82) TAS2R14CXCR3PTGESTAS2R8CNR1
SCHEMBL28729777 0.79 TAS2R14 (0.80) TAS2R14CXCR3PTGESTAS2R8CNR1
SCHEMBL23878154 0.78 MAPT (0.61) TAS2R14CXCR3PTGESTAS2R8CNR1
SCHEMBL19284831 0.75 CNR2 (0.62) TAS2R14CXCR3PTGESTAS2R8CNR1
SCHEMBL1279440 0.74 TAS2R14 (1.00) TAS2R14CXCR3PTGESTAS2R8CNR1
SCHEMBL22175661 0.73 TAS2R14 (0.77) TAS2R14CXCR3PTGESTAS2R8CNR1
SCHEMBL1279080 0.72 TAS2R14 (0.77) TAS2R14CXCR3PTGESTAS2R8CNR1
SCHEMBL1278846 0.72 TAS2R14 (1.00) TAS2R14CXCR3PTGESTAS2R8
SCHEMBL1169926 0.72 TAS2R14 (1.00) TAS2R14CXCR3PTGESTAS2R8
SCHEMBL12260294 0.71 TAS2R14 (0.72) TAS2R14CXCR3PTGESTAS2R8CNR1

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
CN-111377917-B Heterocyclic compound, intermediate, preparation method and application thereof 武汉朗来科技发展有限公司 2022-12-06 — — CN disclosed
Send feedback