SCHEMBL7475562

SCHEMBL7475562

COc1cc(C(=O)N(C)c2ccc(C)cc2OC(C)=O)ccc1NC(=O)c1cccc2[nH]cnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
IRAK4 Q9NWZ3 2/20 0.40
GAA P10253 2/20 0.39
TP53 P04637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MAP3K7 O43318 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
AHR P35869 1/20 0.36
ABL1 P00519 1/20 0.36
RIN1 Q13671 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC3 O15379 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
SCHEMBL7475036 0.89 GAA (0.42) POLBIRAK4GAATP53RXFP1
SCHEMBL7486301 0.89 POLB (0.41) POLBIRAK4GAATP53RXFP1
SCHEMBL7481429 0.89 POLB (0.41) POLBIRAK4GAATP53RXFP1
SCHEMBL7472598 0.88 PARP1 (0.42) POLBIRAK4GAATP53RXFP1
SCHEMBL7427909 0.82 TP53 (0.43) IRAK4GAATP53MEN1KMT2A
SCHEMBL7962290 0.81 MAP3K7 (0.44) IRAK4MAP3K7HDAC8HDAC3BRD4
Hydrochloric Acid SCHEMBL7480961 0.81 MAP3K7 (0.44) IRAK4MAP3K7HDAC8HDAC3BRD4
Hydrochloric Acid SCHEMBL7480957 0.79 MAP3K7 (0.43) IRAK4MAP3K7HDAC8HDAC3BRD4
Hydrochloric Acid SCHEMBL7971987 0.79 MAP3K7 (0.39) MAP3K7HDAC8HDAC3BRD4HDAC4
SCHEMBL7477730 0.78 PTGES (0.39) IRAK4GAATP53MEN1KMT2A

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