SCHEMBL7484394

SCHEMBL7484394

COC(=O)c1cccc2[nH]c(C(=O)O)nc12

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 1/20 0.60
PKN2 Q16513 1/20 0.60
RIPK1 Q13546 2/20 0.56
KDM4E B2RXH2 2/20 0.47
HPGD P15428 1/20 0.47
CRBN Q96SW2 1/20 0.46
DHODH Q02127 6/20 0.46
PARP1 P09874 8/20 0.46
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
PLA2G2A P14555 1/20 0.43
ALOX15 P16050 1/20 0.43
PTGS2 P35354 1/20 0.43

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
SCHEMBL2127145 0.87 PKN1 (0.59) PKN1PKN2RIPK1PARP1PLA2G2A
SCHEMBL7475827 0.86 PKN1 (0.57) PKN1PKN2RIPK1KDM4ECRBN
SCHEMBL7966462 0.85 PKN1 (0.56) PKN1PKN2RIPK1KDM4ECRBN
SCHEMBL8952887 0.84 KDM4E (0.62) KDM4EHPGDDHODHPARP1
SCHEMBL1170810 0.83 PKN1 (0.77) PKN1PKN2RIPK1DHODHPARP1
SCHEMBL7477535 0.82 PARP1 (0.68) PKN1PKN2RIPK1KDM4ECRBN
SCHEMBL24512711 0.81 PKN1 (0.61) PKN1PKN2RIPK1KDM4ECRBN
SCHEMBL2830150 0.81 PKN1 (0.61) PKN1PKN2RIPK1KDM4ECRBN
SCHEMBL6366339 0.81 PKN1 (0.61) PKN1PKN2RIPK1KDM4EHPGD
SCHEMBL1202374 0.81 PKN1 (0.61) PKN1PKN2RIPK1KDM4ECRBN

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