SCHEMBL7969778

SCHEMBL7969778

Nc1cccc2[nH]c(Cn3ccnc3)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 12/20 0.47
CYP11B2 P19099 9/20 0.47
CHEK1 O14757 1/20 0.45
CYP19A1 P11511 4/20 0.44
TBXAS1 P24557 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 3/20 0.43
MAPT P10636 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
QPCT Q16769 1/20 0.43
CYP4Z1 Q86W10 1/20 0.43
QPCTL Q9NXS2 1/20 0.43
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL7480487 0.80 PKN1 (0.51) CYP11B1CYP11B2CYP19A1TBXAS1MEN1
SCHEMBL3707917 0.78 PON1 (0.59) CYP11B1CYP11B2CYP19A1TBXAS1MEN1
SCHEMBL6994637 0.75 CHEK1 (0.56) CHEK1MEN1KMT2APOLBMAPT
SCHEMBL7479170 0.74 MEN1 (0.43) CYP11B1CYP11B2CHEK1CYP19A1MEN1
SCHEMBL7483052 0.74 HTT (0.58) CHEK1MEN1KMT2APOLBMAPT
SCHEMBL7018968 0.74 CYP19A1 (0.43) CYP11B1CYP11B2CYP19A1TBXAS1MEN1
SCHEMBL5736933 0.74 CHEK1 (0.55) CHEK1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL7479734 0.73 HTT (0.61) CHEK1MEN1KMT2APOLBMAPT
SCHEMBL3938941 0.72 CHEK1 (0.57) CHEK1MEN1KMT2APOLBMAPT
SCHEMBL8599171 0.72 CHEK1 (0.61) CHEK1MEN1KMT2ASMN1; SMN2POLB

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