SCHEMBL28320613

SCHEMBL28320613

CNc1ccc(C(F)(F)F)cc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.47
PTGDR2 Q9Y5Y4 2/20 0.46
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
GFER P55789 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TACR1 P25103 2/20 0.43
BACE1 P56817 1/20 0.43
CHRM3 P20309 1/20 0.43
FABP4 P15090 2/20 0.42
METAP2 P50579 1/20 0.41
FABP5 Q01469 1/20 0.40
MAT2A P31153 1/20 0.39
PLK1 P53350 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL27972527 0.84 MAT2A (0.44) KIF11MEN1KMT2ACHRM3MAT2A
SCHEMBL27727993 0.80 MAT2A (0.43) KIF11ALDH1A1MEN1KMT2AKDM4E
SCHEMBL20194456 0.80 ALDH1A1 (0.54) PTGDR2ALDH1A1KDM4EGFERTACR1
SCHEMBL17797034 0.79 ALDH1A1 (0.57) KIF11PTGDR2ALDH1A1MEN1KMT2A
SCHEMBL18415470 0.79 ALDH1A1 (0.57) KIF11PTGDR2ALDH1A1MEN1KMT2A
SCHEMBL27749032 0.79 HSD11B1 (0.46) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL30023096 0.77 KIF11 (0.58) KIF11PTGDR2ALDH1A1BACE1FABP4
SCHEMBL27781322 0.77 KIF11 (0.58) KIF11PTGDR2ALDH1A1BACE1FABP4
SCHEMBL6572032 0.77 KIF11 (0.52) KIF11MEN1KMT2AGAAALOX15
SCHEMBL18025753 0.77 KIF11 (0.52) KIF11PTGDR2ALDH1A1MAPTTACR1

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-105408325-B cyanotriazole compounds 大塚制药株式会社 2019-10-22 CN disclosed