SCHEMBL7422467

SCHEMBL7422467

CNC(=O)c1nc2c(C(=O)O)cccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
HPGD P15428 1/20 0.54
PKN1 Q16512 1/20 0.53
PKN2 Q16513 1/20 0.53
DHODH Q02127 10/20 0.52
PARP1 P09874 7/20 0.51
CNR2 P34972 1/20 0.46

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
SCHEMBL7475827 0.86 PKN1 (0.57) KDM4EPKN1PKN2PARP1
SCHEMBL8952887 0.84 KDM4E (0.62) KDM4EHPGDDHODHPARP1
SCHEMBL28267033 0.83 KDM4E (0.61) KDM4EHPGDDHODHPARP1
SCHEMBL7427217 0.82 HRH4 (0.56) KDM4EHPGDPKN1PKN2CNR2
SCHEMBL27720114 0.80 KDM4E (0.57) KDM4EHPGDPKN1PKN2DHODH
SCHEMBL7478700 0.79 KDM4E (0.54) KDM4EHPGDPKN1PKN2DHODH
SCHEMBL311504 0.79 KDM4E (0.56) KDM4EHPGDDHODHPARP1
SCHEMBL25782833 0.78 MAOB (0.57) KDM4EHPGDPKN1PKN2PARP1
SCHEMBL7484394 0.77 PKN1 (0.60) KDM4EHPGDPKN1PKN2DHODH
SCHEMBL1298127 0.76 PARP1 (0.73) KDM4EHPGDDHODHPARP1

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