SCHEMBL8747840

SCHEMBL8747840

COC(=O)c1ccc(Cl)c(F)c1CBr

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.41
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 1/20 0.39
POLB P06746 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK4 Q16654 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37

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
SCHEMBL7572960 0.88 ABL1 (0.41) ABL1CYP4F2CYP4A11ALDH1A1TSHR
SCHEMBL31636717 0.87 ABL1 (0.42) ABL1CYP4F2CYP4A11ALDH1A1TSHR
SCHEMBL8729538 0.84 CES2 (0.44) ABL1ALDH1A1TSHRPOLBMCOLN3
SCHEMBL24717647 0.83 SOS1 (0.41) ABL1ALDH1A1TSHRPOLBLMNA
SCHEMBL31072738 0.83 SOS1 (0.41) ABL1ALDH1A1TSHRPOLBLMNA
SCHEMBL30993736 0.83 ABL1 (0.41) ABL1CYP4F2CYP4A11ALDH1A1TSHR
SCHEMBL30798415 0.81 ABL1 (0.44) ABL1ALDH1A1TSHRPOLBMCOLN3
SCHEMBL24718703 0.81 ABL1 (0.44) ABL1ALDH1A1TSHRPOLBMCOLN3
SCHEMBL3436908 0.81 ABL1 (0.42) ABL1CYP4F2CYP4A11ALDH1A1TSHR
SCHEMBL31636907 0.81 NOTUM (0.43) ABL1CYP4F2CYP4A11ALDH1A1TSHR

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
EP-0759911-A1 4-BENZOYLISOXAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES RHONE POULENC AGRICULTURE LTD. (GB) 1997-03-05 EP disclosed
WO-1995031446-A1 4-BENZOYLISOXAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES RHONE POULENC AGRICULTURE LTD. (GB) 1995-11-23 WO disclosed