SCHEMBL20635895

SCHEMBL20635895

CCC(=O)N1CCC(SN)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.47
ALDH1A1 P00352 3/20 0.41
CHRNB2 P17787 2/20 0.40
CHRNA3 P32297 2/20 0.40
CHRNA4 P43681 2/20 0.40
EPHX1 P07099 1/20 0.40
GNAI3 P08754 1/20 0.40
GNAO1 P09471 1/20 0.40
GNAI1 P63096 1/20 0.40
NPC1 O15118 1/20 0.40
CHRNB3 Q05901 1/20 0.40
CHRNA6 Q15825 1/20 0.40
CHRNB4 P30926 1/20 0.39
CHRNA7 P36544 1/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL19014332 0.82 EPHX2 (0.49) EPHX2ALDH1A1CHRNB2CHRNA3CHRNA4
SCHEMBL11717 0.78 GNAI3 (0.61) EPHX2ALDH1A1CHRNB2CHRNA3CHRNA4
SCHEMBL19014331 0.76 CHRNB2 (0.43) EPHX2ALDH1A1CHRNB2CHRNA3CHRNA4
SCHEMBL14996187 0.75 EPHX2 (0.53) EPHX2ALDH1A1CHRNB2CHRNA3CHRNA4
SCHEMBL10282539 0.75 ALDH1A1 (0.67) EPHX2ALDH1A1CHRNB2CHRNA3CHRNA4
SCHEMBL7487836 0.75 EPHX2 (0.53) EPHX2ALDH1A1CHRNB2CHRNA3CHRNA4
SCHEMBL10305557 0.74 EPHX2 (0.49) EPHX2ALDH1A1EPHX1
SCHEMBL12396072 0.74 GAA (0.62) EPHX2ALDH1A1
SCHEMBL23571281 0.74 CHRM1 (0.42) EPHX2ALDH1A1EPHX1
SCHEMBL16077702 0.74 EPHX2 (0.51) EPHX2ALDH1A1CHRNB2CHRNA3CHRNA4

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-3661925-B1 NOVEL SULFONAMIDE CARBOXAMIDE COMPOUNDS INFLAZOME LTD (IE) 2021-11-24 EP disclosed
WO-2019008025-A1 NOVEL SULFONAMIDE CARBOXAMIDE COMPOUNDS INFLAZOME LIMITED (IE) 2019-01-10 WO disclosed