SCHEMBL11020880

SCHEMBL11020880

CCCN(C(=S)S)N1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.36
HSD17B10 Q99714 1/20 0.36
ABCB11 O95342 1/20 0.30
CYP2E1 P05181 1/20 0.30
PTGS1 P23219 1/20 0.30
HTT P42858 1/20 0.30
GSDMD P57764 1/20 0.30
PHGDH O43175 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
SCHEMBL31498253 0.84 HSD17B10 (0.37) HSD17B10ABCB11CYP2E1PTGS1HTT
SCHEMBL11020886 0.81 SIGMAR1 (0.36) SIGMAR1
SCHEMBL3920815 0.75 SIGMAR1 (0.36) SIGMAR1
SCHEMBL3911408 0.74 SIGMAR1 (0.36) SIGMAR1
SCHEMBL3910217 0.71 SIGMAR1 (0.34) SIGMAR1
SCHEMBL10748425 0.71 HSD17B10 (0.37) HSD17B10PHGDH
SCHEMBL21219160 0.70 L3MBTL1 (0.36) SIGMAR1HSD17B10
SCHEMBL3910211 0.70 GNAI3 (0.40) SIGMAR1
SCHEMBL3912620 0.70 SIGMAR1 (0.33) SIGMAR1
SCHEMBL10643920 0.70 SIGMAR1 (0.42) SIGMAR1

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
EP-0029998-B1 CEPHEM COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-03-06 EP disclosed