SCHEMBL7967059

SCHEMBL7967059

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.33
ABL1 P00519 2/20 0.33
SRC P12931 2/20 0.33
RXFP1 Q9HBX9 1/20 0.32
ADRA1D P25100 5/20 0.31
ADRA1A P35348 5/20 0.31
ADRA1B P35368 5/20 0.31
MAP3K7 O43318 2/20 0.31
GPR6 P46095 1/20 0.31
LCK P06239 1/20 0.31
ABCB1 P08183 1/20 0.30
ABCG2 Q9UNQ0 1/20 0.30
FYN P06241 1/20 0.30
PTK6 Q13882 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
SCHEMBL7599997 0.93 JAK2 (0.34) JAK2ABL1SRCRXFP1ADRA1D
Hydrochloric Acid SCHEMBL7485053 0.90 PTGES (0.33) JAK2MAP3K7GPR6LCK
SCHEMBL7963910 0.90 PTK2 (0.33) JAK2MAP3K7GPR6LCK
SCHEMBL7965063 0.90 PTGES (0.34) ADRA1DADRA1AADRA1BMAP3K7
SCHEMBL7964770 0.90 MAP3K7 (0.33) JAK2ADRA1DADRA1AADRA1BMAP3K7
SCHEMBL7478975 0.90 MAP3K7 (0.31) MAP3K7GPR6
Hydrochloric Acid SCHEMBL7970313 0.90 PTK2 (0.33) MAP3K7GPR6
SCHEMBL7966512 0.90 BTK (0.34) JAK2MAP3K7LCKABCB1ABCG2
SCHEMBL7482003 0.90 MAP3K7 (0.33) JAK2MAP3K7LCKABCB1ABCG2
SCHEMBL7967130 0.89 CACNA1G (0.33) MAP3K7ABCB1ABCG2

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