SCHEMBL28227135

SCHEMBL28227135

Cc1ccc(N)c(-c2ccc(C(F)(F)F)c(F)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 12/20 0.54
CYP11B1 P15538 7/20 0.50
CYP11B2 P19099 7/20 0.50
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL3900837 0.79 KIF11 (0.64) KIF11CYP11B1CYP11B2
SCHEMBL18601376 0.79 KIF11 (0.59) KIF11CYP11B1CYP11B2
SCHEMBL3896158 0.78 KIF11 (0.72) KIF11CYP11B1CYP11B2
SCHEMBL764426 0.77 CYP11B2 (0.53) KIF11CYP11B1CYP11B2
SCHEMBL3895553 0.76 KIF11 (0.59) KIF11CYP11B1CYP11B2
SCHEMBL3895650 0.75 KIF11 (0.63) KIF11CYP11B1CYP11B2
SCHEMBL27926878 0.74 SMN1; SMN2 (0.46) SMN1; SMN2
SCHEMBL7446405 0.74 PTGS2 (0.44) SMN1; SMN2
SCHEMBL16363206 0.73 KIF11 (0.51) KIF11CYP11B1CYP11B2SMN1; SMN2
SCHEMBL26375376 0.73 CYP11B1 (0.44) KIF11CYP11B1CYP11B2

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
CN-108276294-A A kind of preparation method of fluorine-containing benzidine 上海康鹏科技有限公司 2018-07-13 CN disclosed