SCHEMBL7425591

SCHEMBL7425591

O=C(O)c1cccc2[nH]c(CO)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 9/20 0.47
PBRM1 Q86U86 2/20 0.46
KDM5A P29375 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
KDM5B Q9UGL1 1/20 0.44
PARP1 P09874 1/20 0.43
NR4A1 P22736 1/20 0.42
NR4A2 P43354 1/20 0.42
NR4A3 Q92570 1/20 0.42
PTPN1 P18031 1/20 0.40
MTNR1A P48039 3/20 0.40
MTNR1B P49286 3/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
CYP1A2 P05177 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 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
SCHEMBL5694485 0.85 PBRM1 (0.45) PBRM1PARP1NR4A1NR4A2NR4A3
SCHEMBL19644194 0.85 PBRM1 (0.45) PBRM1PARP1NR4A1NR4A2NR4A3
SCHEMBL8724326 0.83 HMGB1 (0.46) RHEBPBRM1PARP1NR4A1NR4A2
SCHEMBL7427823 0.81 MTNR1A (0.48) RHEBNR4A2PTPN1MTNR1AMTNR1B
SCHEMBL7423141 0.79 ALDH1A1 (0.51) RHEBKDM4EALDH1A1MAPK1KMT2A
SCHEMBL10978966 0.78 CTSV (0.59) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL10983500 0.78 CTSV (0.59) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL10978475 0.78 CTSV (0.59) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2806087 0.77 KDM4E (0.59) RHEBPBRM1PARP1NR4A1NR4A2
SCHEMBL29721596 0.77 KDM4E (0.59) RHEBPBRM1PARP1NR4A1NR4A2

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