SCHEMBL8440311

SCHEMBL8440311

COC(=O)c1cccc(-c2cccc3[nH]ccc23)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASH1L Q9NR48 2/20 0.60
CDK8 P49336 1/20 0.51
AXL P30530 1/20 0.50
HPGDS O60760 2/20 0.48
NEK1 Q96PY6 4/20 0.47
PIK3CD O00329 2/20 0.47
PRKCI P41743 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
KIF11 P52732 1/20 0.46
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 1/20 0.45
TUBB2A Q13885 1/20 0.45

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
SCHEMBL2948502 0.87 PIK3CD (0.51) ASH1LHPGDSPIK3CDKIF11PIK3CB
SCHEMBL24196046 0.84 ASH1L (0.65) ASH1LCDK8HPGDSPIK3CDPRKCI
SCHEMBL6319628 0.82 ASH1L (0.67) ASH1LAXLHPGDSPIK3CDPRKCI
SCHEMBL3661287 0.81 ASH1L (0.74) ASH1LCDK8HPGDSPIK3CDPRKCI
SCHEMBL12127517 0.80 PRKCI (0.73) CDK8AXLNEK1PRKCI
SCHEMBL6319537 0.79 ASH1L (0.49) ASH1LHPGDSPIK3CDPIK3CB
SCHEMBL16749656 0.78 CA12 (0.58) ASH1LCDK8AXLNEK1CA12
SCHEMBL7826657 0.78 NPC1 (0.53) ASH1LCDK8AXLNEK1CA12
SCHEMBL28755028 0.77 TSHR (0.60) ASH1LAXLNEK1CA12CA1
SCHEMBL28321384 0.77 ASH1L (0.53) ASH1LHPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1070173-C Benzoylguanidine derivatives as medicaments FUJISAWA PHARMACEUTICAL CO (JP) 2001-08-29 CN disclosed
US-5968985-A INHIBITORS OF SODIUM ION/HYDROGEN ION EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-19 US disclosed
CN-1158606-A Benzoylguanidine derivatives as medicaments FUJISAWA PHARMACEUTICAL CO (JP) 1997-09-03 CN 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