SCHEMBL30003961

SCHEMBL30003961

O=C(N=S(=O)=O)Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.61
EPHX2 P34913 2/20 0.61
CA2 P00918 1/20 0.56
CA4 P22748 1/20 0.56
CA5A P35218 1/20 0.56
CA9 Q16790 1/20 0.56
NPC1 O15118 4/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
RAB9A P51151 3/20 0.54
LMNA P02545 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MAPT P10636 1/20 0.54
PKM P14618 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
CHRM1 P11229 1/20 0.54
SLC6A2 P23975 1/20 0.54
PDE4A P27815 1/20 0.54
ADRA1A P35348 1/20 0.54
OPRM1 P35372 1/20 0.54

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
SCHEMBL9799941 0.80 EPHX1 (0.63) EPHX1EPHX2CA2CA4CA5A
SCHEMBL2683478 0.77 EPHX1 (1.00) EPHX1EPHX2CA2CA4CA5A
SCHEMBL30640703 0.77 EPHX1 (1.00) EPHX1EPHX2CA2CA4CA5A
SCHEMBL1092135 0.75 EPHX1 (0.73) EPHX1EPHX2CA2CA4CA5A
SCHEMBL2096781 0.75 EPHX1 (0.73) EPHX1EPHX2CA2CA4CA5A
SCHEMBL9835107 0.75 EPHX1 (0.73) EPHX1EPHX2CA2CA4CA5A
SCHEMBL7980935 0.75 NPC1 (0.59) EPHX1EPHX2CA2CA4CA5A
SCHEMBL14341919 0.74 EPHX1 (0.59) EPHX1EPHX2CA2CA4CA5A
SCHEMBL733725 0.74 EPHX1 (0.59) EPHX1EPHX2CA2CA4CA5A
SCHEMBL733724 0.74 EPHX1 (0.59) EPHX1EPHX2CA2CA4CA5A

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
WO-2022218226-A1 ENGINEERED IMMUNE CELL AND USE THEREOF 南京北恒生物科技有限公司 2022-10-20 WO disclosed