SCHEMBL8442902

SCHEMBL8442902

COC(=O)c1cccc(-c2sccc2C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL2 P60568 1/20 0.57
CA12 O43570 2/20 0.48
CA9 Q16790 2/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
ERN1 O75460 3/20 0.47
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.44
CDK8 P49336 1/20 0.44
PLAU P00749 1/20 0.44
PTGS1 P23219 1/20 0.44
TSHR P16473 1/20 0.43
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL8444377 0.84 IL2 (0.47) IL2CA12CA9CA1CA2
SCHEMBL6139747 0.83 KMO (0.51) CA12CA9CA1CA2KDM4E
SCHEMBL7815828 0.79 HSD17B10 (0.48) IL2CA12CA9CA1CA2
SCHEMBL67941 0.79 CA12 (0.68) CA12CA9CA1CA2ERN1
SCHEMBL27715902 0.77 CA12 (0.71) CA12CA9CA1CA2ERN1
SCHEMBL16502515 0.76 NQO2 (0.42) CA12CA9CA1CA2PLAU
SCHEMBL6802813 0.76 HTR1A (0.54) CA12CA9CA1CA2ERN1
SCHEMBL3741524 0.75 KAT6A (0.55) CA12CA9CA1CA2ERN1
SCHEMBL8444332 0.75 CA12 (0.47) CA12CA9CA1CA2ERN1
SCHEMBL30350436 0.75 CA12 (0.60) IL2CA12CA9CA1CA2

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