SCHEMBL7598283

SCHEMBL7598283

COc1cc(C(=O)N(C)c2ccccc2-n2cccc2)ccc1C(=O)Nc1cccc2c1ncn2C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.38
RXFP1 Q9HBX9 1/20 0.36
BRPF1 P55201 2/20 0.35
BRD4 O60885 1/20 0.35
KMT2A Q03164 3/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NR1H4 Q96RI1 3/20 0.34
MAPT P10636 2/20 0.34
LTC4S Q16873 1/20 0.33
GAA P10253 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL7538522 0.89 BRPF1 (0.42) BRPF1KMT2AMEN1LMNAL3MBTL1
SCHEMBL7534090 0.83 RXFP1 (0.33) IRAK4RXFP1BRPF1BRD4KMT2A
SCHEMBL7593381 0.80 BRD4 (0.43) IRAK4RXFP1BRPF1BRD4KMT2A
Hydrochloric Acid SCHEMBL7598923 0.80 BRD4 (0.42) IRAK4RXFP1BRPF1BRD4KMT2A
SCHEMBL7969233 0.79 KMT2A (0.42) BRPF1BRD4KMT2ARAB9AMEN1
SCHEMBL7534660 0.75 MEN1 (0.35) IRAK4RXFP1BRPF1BRD4KMT2A
SCHEMBL7965105 0.74 L3MBTL1 (0.46) KMT2ARAB9ALMNAL3MBTL1MAPT
SCHEMBL7954361 0.73 L3MBTL1 (0.45) KMT2ARAB9ALMNAL3MBTL1GAA
SCHEMBL7599052 0.70 HTT (0.49) IRAK4BRPF1KMT2AMEN1LMNA
SCHEMBL7973753 0.70 KMT2A (0.46) RXFP1BRPF1BRD4KMT2AMEN1

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 3 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
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