SCHEMBL7955816

SCHEMBL7955816

Nc1cccc2[nH]c(CN3C(=O)c4ccccc4C3=O)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.47
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
MAPT P10636 5/20 0.40
GAA P10253 2/20 0.40
HTT P42858 2/20 0.40
POLB P06746 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HPGD P15428 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 4/20 0.39
PKM P14618 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPK1 P28482 2/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
HDAC1 Q13547 1/20 0.38

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
SCHEMBL7475210 0.87 PDE10A (0.48) CHEK1MEN1KMT2AMAPTGAA
SCHEMBL7471339 0.80 TYR (0.48) MEN1KMT2AMAPTGAAHTT
SCHEMBL7474778 0.75 ALDH1A1 (0.47) CHEK1MEN1KMT2AMAPTGAA
SCHEMBL6994637 0.74 CHEK1 (0.56) CHEK1MEN1KMT2AMAPTGAA
SCHEMBL7483052 0.73 HTT (0.58) CHEK1MEN1KMT2AMAPTGAA
SCHEMBL5736933 0.73 CHEK1 (0.55) CHEK1MEN1KMT2AMAPTGAA
SCHEMBL7479734 0.72 HTT (0.61) CHEK1MEN1KMT2AMAPTGAA
SCHEMBL3938941 0.71 CHEK1 (0.57) CHEK1MEN1KMT2AMAPTGAA
SCHEMBL8599171 0.71 CHEK1 (0.61) CHEK1MEN1KMT2AMAPTGAA
SCHEMBL7969778 0.71 CYP11B1 (0.47) CHEK1MEN1KMT2AMAPTGAA

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