SCHEMBL11597366

SCHEMBL11597366

CCCNS(=O)(=O)c1cc(C(C)=O)ccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GSTO1 P78417 4/20 0.50
▸ F10 P00742 1/20 0.48
▸ PRSS1 P07477 1/20 0.48
▸ PRSS2 P07478 1/20 0.48
▸ PRSS3 P35030 1/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ CA12 O43570 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ POLB P06746 4/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44

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
SCHEMBL9436722 0.89 POLB (0.58) F10PRSS1PRSS2PRSS3L3MBTL1
SCHEMBL11595726 0.85 F10 (0.46) GSTO1F10PRSS1PRSS2PRSS3
SCHEMBL11354624 0.83 CA1 (0.48) GSTO1F10PRSS1PRSS2PRSS3
SCHEMBL11348810 0.81 GSTO1 (0.44) GSTO1F10PRSS1PRSS2PRSS3
SCHEMBL11354829 0.81 L3MBTL1 (0.46) GSTO1F10PRSS1PRSS2PRSS3
SCHEMBL11595503 0.81 POLB (0.56) GSTO1L3MBTL1CA12CA9POLB
SCHEMBL11555586 0.81 GAA (0.50) GSTO1F10PRSS1PRSS2PRSS3
SCHEMBL21183474 0.80 POLB (0.50) GSTO1L3MBTL1POLBTDP1SMN1; SMN2
SCHEMBL7980944 0.80 GSTO1 (0.58) GSTO1L3MBTL1POLBSMN1; SMN2CYP1A2
SCHEMBL11634297 0.80 GSTO1 (0.46) GSTO1L3MBTL1POLBSMN1; SMN2CYP1A2

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
US-4125614-A DIURETIC HOECHST AKTIENGESELLSCHAFT (DE) 1978-11-14 — — US disclosed
US-4061761-A Thiazolidine derivatives HOECHST AKTIENGESELLSCHAFT (DT) 1977-12-06 — — US disclosed
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