SCHEMBL28196330

SCHEMBL28196330

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

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 10/20 0.46
KDM1A O60341 1/20 0.42
SLC7A5 Q01650 2/20 0.38
FFAR1 O14842 1/20 0.36
PDE2A O00408 4/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
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
SCHEMBL21711983 0.81 KIF11 (0.46) KIF11KDM1AFFAR1PDE2A
SCHEMBL701610 0.81 KIF11 (0.46) KIF11KDM1AFFAR1PDE2A
SCHEMBL4230101 0.81 KIF11 (0.46) KIF11KDM1AFFAR1PDE2A
SCHEMBL28196872 0.81 KIF11 (0.46) KIF11KDM1AFFAR1PDE2ATRPM8
Hydrochloric Acid SCHEMBL25257795 0.79 KIF11 (0.44) KIF11KDM1ASLC7A5FFAR1PDE2A
Hydrochloric Acid SCHEMBL28665215 0.79 KIF11 (0.44) KIF11KDM1AFFAR1PDE2A
Hydrochloric Acid SCHEMBL28665216 0.79 KIF11 (0.44) KIF11KDM1AFFAR1PDE2A
Hydrochloric Acid SCHEMBL14121536 0.79 KIF11 (0.44) KIF11KDM1AFFAR1PDE2A
SCHEMBL20240221 0.79 PDE2A (0.46) KIF11KDM1AFFAR1PDE2A
Hydrochloric Acid SCHEMBL14121846 0.79 KIF11 (0.44) KIF11KDM1AFFAR1PDE2A

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