SCHEMBL7963910

SCHEMBL7963910

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCC(=C=O)N2CCN(C)CC2)ccc1C(=O)Nc1cccc2[nH]c(NS(C)(=O)=O)nc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAP3K7 O43318 2/20 0.31
HDAC3 O15379 1/20 0.31
BRD4 O60885 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
GPR6 P46095 1/20 0.30
PDGFRB P09619 1/20 0.30

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
Hydrochloric Acid SCHEMBL7970313 0.99 PTK2 (0.33) PTK2MEN1KMT2AMAP3K7HDAC3
SCHEMBL7963915 0.93 PTK2 (0.35) PTK2MEN1KMT2AMAP3K7IRAK4
Hydrochloric Acid SCHEMBL7970318 0.92 PTK2 (0.34) PTK2MEN1KMT2AMAP3K7IRAK4
Hydrochloric Acid SCHEMBL7485053 0.91 PTGES (0.33) MAP3K7HDAC3BRD4HDAC4HDAC1
SCHEMBL7964770 0.91 MAP3K7 (0.33) MAP3K7HDAC3BRD4HDAC4HDAC1
SCHEMBL7478975 0.91 MAP3K7 (0.31) MAP3K7HDAC3BRD4HDAC4HDAC1
SCHEMBL7966512 0.90 BTK (0.34) MAP3K7HDAC3BRD4HDAC4HDAC1
SCHEMBL7482003 0.90 MAP3K7 (0.33) MEN1KMT2AMAP3K7HDAC3BRD4
SCHEMBL7967059 0.90 JAK2 (0.33) MAP3K7GPR6JAK2LCK
SCHEMBL7965063 0.90 PTGES (0.34) MEN1KMT2AMAP3K7HDAC3BRD4

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 1 patent. 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