SCHEMBL7964155

SCHEMBL7964155

CCCc1nc2c(N)cccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.58
POLB P06746 2/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
DDAH1 O94760 1/20 0.39
KDM4E B2RXH2 1/20 0.38
PDE10A Q9Y233 1/20 0.38
ATP4A P20648 1/20 0.37
ATP4B P51164 1/20 0.37
PARP1 P09874 1/20 0.37
TLR8 Q9NR97 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
SCHEMBL8599171 0.86 CHEK1 (0.61) CHEK1POLBMAPTMEN1GAA
SCHEMBL7967546 0.83 CHEK1 (0.51) CHEK1POLBMAPTMEN1GAA
SCHEMBL6994637 0.82 CHEK1 (0.56) CHEK1POLBMAPTMEN1GAA
SCHEMBL1917210 0.81 MGAM (0.47) GAATDP1
SCHEMBL5736933 0.81 CHEK1 (0.55) CHEK1POLBMAPTMEN1GAA
SCHEMBL9754832 0.80 ALDH1A1 (0.46) CHEK1POLBDDAH1KDM4EPDE10A
SCHEMBL10397230 0.80 PDE10A (0.57) CHEK1POLBGAADDAH1KDM4E
SCHEMBL1917492 0.80 PSMB8 (0.49) CHEK1POLBGAADDAH1KDM4E
SCHEMBL3938941 0.79 CHEK1 (0.57) CHEK1POLBMAPTMEN1GAA
SCHEMBL15767180 0.79 CHEK1 (0.41) CHEK1POLBDDAH1KDM4EPDE10A

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