SCHEMBL8444035

SCHEMBL8444035

COC(=O)c1cccc(-c2ccsc2C=O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.56
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
HCRTR1 O43613 1/20 0.47
HCRTR2 O43614 1/20 0.47
AXL P30530 1/20 0.44
ASH1L Q9NR48 1/20 0.43
HSD17B10 Q99714 2/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CDK8 P49336 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
PLAU P00749 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41

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
SCHEMBL7815828 0.82 HSD17B10 (0.48) ERN1CA12CA1CA2CA9
SCHEMBL8444332 0.81 CA12 (0.47) ERN1CA12CA1CA2CA9
SCHEMBL8444530 0.80 CA12 (0.60) ERN1CA12CA1CA2CA9
SCHEMBL8439989 0.80 PKM (0.49) ERN1CA12CA1CA2CA9
SCHEMBL16749656 0.77 CA12 (0.58) ERN1CA12CA1CA2CA9
SCHEMBL7823119 0.77 PLAU (0.44) ERN1CA12CA1CA2CA9
SCHEMBL8443997 0.77 CA12 (0.44) ERN1CA12CA1CA2CA9
SCHEMBL31411259 0.77 ALDH1A1 (0.51) ERN1HSD17B10ALDH1A1LMNAMAPT
SCHEMBL27361125 0.76 CA12 (0.43) ERN1CA12CA1CA2CA9
SCHEMBL8440135 0.76 AXL (0.46) ERN1CA12CA1CA2CA9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5968985-A INHIBITORS OF SODIUM ION/HYDROGEN ION EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-19 US disclosed
EP-0773927-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-21 EP disclosed
WO-1996004241-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO disclosed