SCHEMBL7562859

SCHEMBL7562859

Cn1c(CNC(=O)OC(C)(C)C)nc2c(C(=O)O)cccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 1/20 0.54
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
ATM Q13315 1/20 0.46
MAPT P10636 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
GFER P55789 3/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4A O75164 1/20 0.40
KCNA5 P22460 1/20 0.39
BRD4 O60885 4/20 0.38
CYP2D6 P10635 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NQO2 P16083 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA7 P43166 1/20 0.37

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
SCHEMBL7480439 0.87 NPC1 (0.44) STING1POLBMAPK1ATMMAPT
SCHEMBL7970926 0.82 DHODH (0.46) POLBMAPK1ATMMAPTKDM4E
SCHEMBL30466612 0.80 MAPT (0.70) MAPTKDM4ELMNAL3MBTL1BRD4
SCHEMBL28366489 0.80 MAPT (0.70) MAPTKDM4ELMNAL3MBTL1BRD4
SCHEMBL16750300 0.76 MAPT (0.40) POLBMAPK1ATMMAPTKDM4E
SCHEMBL23857778 0.76 GLS (0.41) POLBMAPK1ATML3MBTL1KDM4A
SCHEMBL28210982 0.75 KDM4A (0.47) POLBMAPK1ATMGFERHSD17B10
SCHEMBL4881757 0.74 STING1 (0.44) STING1MAPTKDM4ELMNAL3MBTL1
SCHEMBL7562864 0.73 STING1 (0.41) STING1MAPTALDH1A1
SCHEMBL7422026 0.72 NPC1 (0.44) POLBMAPK1ATMMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6316482-B1 FOR THERAPY AND PROPHYLAXIS OF HYPERTENSION, HEART FAILURE, RENAL INSUFFICIENCY, EDEMA, ASCITES, VASOPRESSIN PARASECRETION SYNDROME, HEPATOCIRRHOSIS, HYPONATREMIA, HYPOKALEMIA, DIABETIC, CIRCULATION DISORDER, CEREBROVASCULAR DISEASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-13 US disclosed
US-6207693-B1 Benzamide derivatives having a vasopressin antagonistic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed
EP-0946519-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-06 EP disclosed
WO-1998024771-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-11 WO disclosed