SCHEMBL7477730

SCHEMBL7477730

COc1cc(C(=O)N(C)c2ccc(C)cc2OC)ccc1NC(=O)c1cccc2[nH]c(CN)nc12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGES O14684 8/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
AHR P35869 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
NTRK1 P04629 1/20 0.36
NTRK2 Q16620 1/20 0.36
KCNMA1 Q12791 1/20 0.36

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
SCHEMBL7480037 0.95 KCNMA1 (0.39) PTGESMEN1KMT2AIRAK4TP53
SCHEMBL7482267 0.95 PTGES (0.42) PTGESMEN1KMT2AIRAK4TP53
SCHEMBL7476090 0.92 BRD4 (0.41) PTGESMEN1KMT2ATP53GAA
Hydrochloric Acid SCHEMBL7967286 0.92 IRAK4 (0.35) PTGESMEN1KMT2AIRAK4TP53
Hydrochloric Acid SCHEMBL7965551 0.91 IRAK4 (0.35) PTGESMEN1KMT2AIRAK4TP53
SCHEMBL7477215 0.91 HDAC3 (0.36) PTGESMEN1KMT2AIRAK4ALDH1A1
Hydrochloric Acid SCHEMBL7970132 0.90 HDAC3 (0.35) PTGESMEN1KMT2AIRAK4ALDH1A1
SCHEMBL7482996 0.90 IRAK4 (0.36) PTGESMEN1KMT2AIRAK4TP53
SCHEMBL7595290 0.89 CHEK1 (0.35) PTGESMEN1KMT2AIRAK4ALDH1A1
SCHEMBL7469158 0.87 BRD4 (0.33) PTGESMEN1KMT2AIRAK4ALDH1A1

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