SCHEMBL9366255

SCHEMBL9366255

O=C1C(c2ccc(C(F)(F)F)cc2)=C(O)CN1c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 8/20 0.56
PTGS2 P35354 8/20 0.56
POLB P06746 1/20 0.49
RECQL P46063 1/20 0.43
KIF11 P52732 1/20 0.42
BACE1 P56817 1/20 0.41
LMNA P02545 1/20 0.41
GLO1 Q04760 1/20 0.40
GRM2 Q14416 1/20 0.39
FPR1 P21462 1/20 0.39
FPR2 P25090 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
RAD51 Q06609 1/20 0.39
HSD11B1 P28845 1/20 0.38
HDAC2 Q92769 1/20 0.38

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
SCHEMBL9370537 0.85 POLB (0.61) PTGS1PTGS2POLBLMNANPC1
SCHEMBL9367490 0.85 POLB (0.65) PTGS1PTGS2POLBLMNANPC1
SCHEMBL9369861 0.81 POLB (0.53) PTGS1PTGS2POLBLMNANPC1
SCHEMBL9366423 0.81 PTGS1 (0.54) PTGS1PTGS2KIF11BACE1GLO1
SCHEMBL26135653 0.81 PTGS1 (0.56) PTGS1PTGS2KIF11BACE1GLO1
SCHEMBL9367013 0.79 POLB (0.50) PTGS1PTGS2POLBLMNANPC1
SCHEMBL14516374 0.79 PTGS1 (0.78) PTGS1PTGS2KIF11BACE1FPR1
SCHEMBL9372003 0.78 PTGS1 (0.61) PTGS1PTGS2POLBRECQLNPC1
SCHEMBL14516249 0.76 PTGS1 (0.73) PTGS1PTGS2KIF11BACE1
SCHEMBL9371990 0.76 POLB (0.47) PTGS1PTGS2POLBLMNANPC1

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
EP-0409163-B1 Novel cyclic vinylogous N-hydroxy-N-methylureas useful as 5-lipoxygenase inhibitors MERRELL DOW PHARMA (US) 1994-12-21 EP disclosed