SCHEMBL7015249

SCHEMBL7015249

Nc1cccc2[nH]c(N3CCOCC3)nc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.60
PIM1 P11309 1/20 0.47
PARP1 P09874 5/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CA P42336 1/20 0.43
POLB P06746 4/20 0.43
MEN1 O00255 3/20 0.43
MAPT P10636 3/20 0.43
KMT2A Q03164 3/20 0.43
GAA P10253 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
FGFR1 P11362 1/20 0.43
ALDH1A1 P00352 2/20 0.42
THRB P10828 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
KCNMA1 Q12791 1/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL6118505 0.82 HTR3A (0.54) PIM1PARP1POLBMEN1MAPT
SCHEMBL31047353 0.80 NPY5R (0.46) PARP1POLBMEN1MAPTKMT2A
SCHEMBL312048 0.77 TP53 (0.53) TP53PIM1POLBMEN1MAPT
SCHEMBL6604643 0.76 HPGD (0.63) PIM1PARP1MAPTGAAL3MBTL1
SCHEMBL2674838 0.75 TP53 (1.00) TP53POLBMEN1MAPTKMT2A
SCHEMBL27176730 0.71 PIM1 (0.55) TP53PIM1PARP1PIK3CBPIK3CA
SCHEMBL29848545 0.71 NOTUM (0.48) PARP1PIK3CBPIK3CAPOLBMEN1
SCHEMBL3790798 0.71 PARP1 (0.47) PARP1POLBMEN1MAPTKMT2A
SCHEMBL6239333 0.71 TP53 (0.64) TP53PIM1PIK3CAPOLBMEN1
SCHEMBL7016694 0.71 TP53 (0.60) TP53PIM1PIK3CBPIK3CAPOLB

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
EP-1051415-B1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2003-09-24 EP disclosed
US-6495542-B1 SUCH AS 2-METHOXY-N-(2-METHYL-1H-BENZIMIDAZOL-4-YL)-4-(2,3,4,5-TETRAHYDRO-5-OXO-1H-1-BENZAZEPIN-1-YL)CARBONYL-BENZAM IDE; HYPERTENSION, HEART FAILURE, RENAL INSUFFICIENCY, EDEMA, ASCITES, VASOPRESSIN PARASECRETION SYNDROME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-17 US disclosed
EP-1051415-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-15 EP disclosed
WO-1999037637-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-07-29 WO disclosed