SCHEMBL8443258

SCHEMBL8443258

COC(=O)c1cccc(-c2coc3ccccc23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.49
GSK3B P49841 1/20 0.48
NPC1 O15118 2/20 0.46
RAB9A P51151 1/20 0.46
HIF1A Q16665 1/20 0.46
NEK1 Q96PY6 1/20 0.46
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ASH1L Q9NR48 1/20 0.46
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
TNKS O95271 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
PIN1 Q13526 1/20 0.45
CHRM2 P08172 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
SCHEMBL8442957 0.84 CHRM2 (0.49) AXLNPC1RAB9ANEK1ASH1L
SCHEMBL8443280 0.83 KMO (0.53) AXLGSK3BNPC1POLBPIN1
SCHEMBL12365259 0.82 GSK3B (0.61) GSK3BNPC1RAB9ANEK1POLB
SCHEMBL20100999 0.80 POLB (0.44) AXLNPC1RAB9APOLB
SCHEMBL16749656 0.77 CA12 (0.58) AXLNPC1RAB9ANEK1POLB
SCHEMBL7826657 0.77 NPC1 (0.53) AXLNPC1RAB9ANEK1L3MBTL1
SCHEMBL13986661 0.77 ALOX5 (0.52) AXLNPC1RAB9AHIF1ANEK1
SCHEMBL28755028 0.76 TSHR (0.60) AXLNPC1RAB9ANEK1ASH1L
SCHEMBL3493911 0.76 GSK3B (0.49) GSK3BNPC1RAB9ANEK1POLB
SCHEMBL67941 0.75 CA12 (0.68) RAB9APOLBGABRG2GABRB3GABRA5

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