SCHEMBL7966265

SCHEMBL7966265

NCCCNc1nc2c([N+](=O)[O-])cccc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 8/20 0.52
PKN1 Q16512 1/20 0.47
PKN2 Q16513 1/20 0.47
RIPK1 Q13546 3/20 0.45
ADORA3 P0DMS8 1/20 0.43
CCNT1 O60563 1/20 0.43
CDK9 P50750 1/20 0.43
PIM1 P11309 1/20 0.42
GAA P10253 2/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
STK17A Q9UEE5 1/20 0.39
BCHE P06276 1/20 0.39
TRPC3 Q13507 1/20 0.39
TRPC4 Q9UBN4 1/20 0.39
TRPC5 Q9UL62 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL7954749 0.87 PKN1 (0.49) PKN1PKN2RIPK1ADORA3CCNT1
SCHEMBL7964827 0.84 CHRM2 (0.52) PKN1PKN2RIPK1ADORA3CCNT1
SCHEMBL7016736 0.81 PKN1 (0.46) PKN1PKN2RIPK1ADORA3CCNT1
SCHEMBL7477180 0.81 RIPK1 (0.46) PKN1PKN2RIPK1ADORA3CCNT1
SCHEMBL8601355 0.77 PKN1 (0.55) PKN1PKN2ADORA3GAAMGAM
SCHEMBL4504445 0.75 PIM1 (0.47) PKN1PKN2ADORA3PIM1GAA
SCHEMBL11020624 0.74 PKN1 (0.49) PKN1PKN2ADORA3GAAMGAM
SCHEMBL15228495 0.74 PKN1 (0.55) PKN1PKN2ADORA3GAAMGAM
SCHEMBL7486053 0.73 PKN1 (0.50) PKN1PKN2ADORA3GAAMGAM
SCHEMBL1013853 0.73 LMNA (0.54) PKN1PKN2ADORA3GAAMGAM

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