SCHEMBL7967569

SCHEMBL7967569

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCCN2C(=O)c3ccccc3C2=O)ccc1NC(=O)c1cccc2[nH]c(CNC(=O)OC(C)(C)C)nc12

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.35
PARP1 P09874 1/20 0.35
ALDH1A1 P00352 4/20 0.35
POLB P06746 2/20 0.35
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
MAPT P10636 1/20 0.33
HTT P42858 2/20 0.32
TSHR P16473 1/20 0.32
MAPK10 P53779 1/20 0.32
PTGES O14684 4/20 0.32
STING1 Q86WV6 1/20 0.32
BRPF1 P55201 1/20 0.32

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
SCHEMBL7964884 0.90 BRD4 (0.35) BRD4PARP1KDM4ETSHRMAPK10
SCHEMBL7482373 0.90 BRD4 (0.34) BRD4PARP1ALDH1A1MAPTTSHR
SCHEMBL7607734 0.90 BRD4 (0.35) BRD4PARP1MAPTTSHRMAPK10
SCHEMBL7483103 0.89 BRD4 (0.36) BRD4PARP1ALDH1A1MAPTTSHR
SCHEMBL7965806 0.89 BRD4 (0.34) BRD4PARP1ALDH1A1MAPTTSHR
SCHEMBL7479422 0.88 BRD4 (0.35) BRD4PARP1ALDH1A1MAPTTSHR
SCHEMBL7964981 0.88 BRD4 (0.34) BRD4PARP1MAPTTSHRMAPK10
SCHEMBL7474537 0.88 ALDH1A1 (0.40) BRD4ALDH1A1POLBKDM4EHPGD
SCHEMBL7966353 0.88 TSHR (0.38) BRD4PARP1TSHRMAPK10PTGES
SCHEMBL7474276 0.88 BRD4 (0.34) BRD4PARP1ALDH1A1KDM4EMAPT

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 2 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