SCHEMBL28196872

SCHEMBL28196872

[CH2][C@@H](O)c1ccc(C(F)(F)F)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 10/20 0.46
FFAR1 O14842 1/20 0.39
KDM1A O60341 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
PDE2A O00408 5/20 0.38
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36

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
SCHEMBL703244 0.81 KIF11 (0.46) KIF11FFAR1PDE2AAKR1C3AKR1C2
SCHEMBL28196330 0.81 KIF11 (0.46) KIF11FFAR1KDM1ATRPM8PDE2A
SCHEMBL18285740 0.79 PDE2A (0.50) KIF11FFAR1PDE2AAKR1C3AKR1C2
SCHEMBL18283155 0.78 KIF11 (0.43) KIF11FFAR1PDE2A
SCHEMBL19136345 0.78 KIF11 (0.43) KIF11FFAR1PDE2AAKR1C3AKR1C2
SCHEMBL1539015 0.78 PDE2A (0.46) KIF11FFAR1KDM1APDE2AAKR1C3
SCHEMBL1759520 0.77 CES2 (0.50) AKR1C3AKR1C2
SCHEMBL16660435 0.77 KIF11 (0.42) KIF11FFAR1KDM1ATRPM8PDE2A
SCHEMBL18290662 0.77 PDE2A (0.49) KIF11FFAR1PDE2AAKR1C3AKR1C2
SCHEMBL8146090 0.76 KIF11 (0.48) KIF11FFAR1KDM1APDE2AAKR1C3

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-103635472-B Serine/threonine kinase inhibitor 阵列生物制药公司 2018-01-12 CN disclosed