SCHEMBL7963795

SCHEMBL7963795

COc1nc2c(N)cccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.50
▸ GAA P10253 3/20 0.50
▸ MAPT P10636 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ CHEK1 O14757 1/20 0.47
▸ PARP1 P09874 7/20 0.42
▸ HPGD P15428 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ ALOX15 P16050 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ CBFB Q13951 1/20 0.37
▸ PLA2G2A P14555 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
SCHEMBL4420446 0.80 ALDH1A1 (0.55) TDP1MAPTMEN1POLBKMT2A
SCHEMBL1013125 0.79 PARP1 (0.59) TDP1GAAMAPTMEN1POLB
SCHEMBL23122996 0.79 NQO2 (0.38) GAAPARP1HPGDSMN1; SMN2ALDH1A1
SCHEMBL3962251 0.79 ALOX15 (0.37) GAAPARP1HPGDSMN1; SMN2ALDH1A1
SCHEMBL8014752 0.79 MGAM (0.43) GAAMAPTPARP1HPGDALDH1A1
Hydrochloric Acid SCHEMBL6120896 0.78 PARP1 (0.57) TDP1GAAMAPTMEN1POLB
SCHEMBL3974201 0.76 CBFB (0.44) GAAMEN1KMT2APARP1HPGD
Dimethylamine SCHEMBL7481385 0.75 PARP1 (0.54) TDP1GAAMAPTMEN1POLB
SCHEMBL30291834 0.75 MEN1 (0.58) TDP1GAAMAPTMEN1POLB
SCHEMBL3287778 0.75 MEN1 (0.58) TDP1GAAMAPTMEN1POLB

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
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