SCHEMBL7970926

SCHEMBL7970926

Cn1c(CNC(=O)OC(C)(C)C)nc2cccc(C(=O)O)c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.46
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 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4A O75164 1/20 0.40
BCHE P06276 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
KCNA5 P22460 1/20 0.39
ACACB O00763 2/20 0.39
ACACA Q13085 2/20 0.39

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
SCHEMBL7422026 0.87 NPC1 (0.44) POLBMAPK1ATMMAPTKDM4E
SCHEMBL7562859 0.82 STING1 (0.54) POLBMAPK1ATMMAPTKDM4E
SCHEMBL28366489 0.80 MAPT (0.70) MAPTKDM4ELMNAL3MBTL1MEN1
SCHEMBL30466612 0.80 MAPT (0.70) MAPTKDM4ELMNAL3MBTL1MEN1
SCHEMBL17936393 0.75 HTT (0.41) POLBMAPK1ATMKDM4ELMNA
SCHEMBL4881735 0.75 CYP3A4 (0.45) MAPK1MAPTKDM4ELMNAL3MBTL1
SCHEMBL28210982 0.75 KDM4A (0.47) POLBMAPK1ATMGFERHSD17B10
SCHEMBL12635925 0.74 POLB (0.43) POLBMAPK1ATMMAPTKDM4E
SCHEMBL29154914 0.74 STING1 (0.45) BRD4
SCHEMBL7970929 0.73 DHODH (0.45) DHODHMAPTACKR3

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 2 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