SCHEMBL7477311

SCHEMBL7477311

Nc1cccc2[nH]c(-c3cccnc3)nc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 3/20 0.65
PKN2 Q16513 3/20 0.65
MAPT P10636 4/20 0.59
KDM4E B2RXH2 3/20 0.59
KMT2A Q03164 3/20 0.59
HTT P42858 2/20 0.59
NPC1 O15118 2/20 0.59
ALDH1A1 P00352 2/20 0.59
HPGD P15428 2/20 0.59
RAB9A P51151 2/20 0.59
MEN1 O00255 2/20 0.59
POLB P06746 2/20 0.59
LDHA P00338 1/20 0.59
EPHX2 P34913 1/20 0.59
DHODH Q02127 2/20 0.57
PARP1 P09874 1/20 0.57
PARP2 Q9UGN5 1/20 0.57
STAT1 P42224 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CYP11B1 P15538 1/20 0.49

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
SCHEMBL5565092 0.82 PARP1 (0.60) MAPTKDM4EKMT2AHTTNPC1
SCHEMBL19662789 0.82 PKN1 (0.61) PKN1PKN2MAPTKDM4EKMT2A
SCHEMBL19643484 0.82 PKN1 (0.61) PKN1PKN2MAPTKDM4EKMT2A
SCHEMBL5201233 0.82 MGAM (0.70) PKN1PKN2MAPTKDM4EKMT2A
SCHEMBL21237321 0.81 PKN1 (0.57) PKN1PKN2MAPTKDM4EKMT2A
SCHEMBL6806962 0.79 PKN1 (1.00) PKN1PKN2DHODHPARP1PARP2
SCHEMBL29411982 0.79 PKN1 (1.00) PKN1PKN2DHODHPARP1PARP2
SCHEMBL24368227 0.78 PKN1 (0.61) PKN1PKN2MAPTKDM4EKMT2A
SCHEMBL6439291 0.78 PARP1 (0.64) MAPTKDM4EKMT2ANPC1ALDH1A1
SCHEMBL7561483 0.77 PKN1 (0.79) PKN1PKN2DHODHPARP1PARP2

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 4 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
EP-0946519-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-06 EP disclosed
WO-1998024771-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-11 WO disclosed