SCHEMBL28118767

SCHEMBL28118767

CC1(C)CN(c2ccc(C[SH](=O)=O)c(C(F)(F)F)c2)CN1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 14/20 0.39
AOC3 Q16853 1/20 0.34
SIRT6 Q8N6T7 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
PGR P06401 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
ALOX12 P18054 1/20 0.30
NFKB1 P19838 1/20 0.30
CYP2C19 P33261 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL6987454 0.78 AR (0.45) ARSIRT6HTR2CHTR2BMEN1
SCHEMBL6990671 0.77 AR (0.41) ARSIRT6HTR2CHTR2BMEN1
SCHEMBL28872808 0.77 AOC3 (0.47) ARAOC3SIRT6HTR2CTRPV1
SCHEMBL28118768 0.76 AR (0.41) ARSIRT6HTR2CHTR2BMEN1
SCHEMBL11093931 0.75 SIRT6 (0.60) ARSIRT6MEN1LMNATP53
SCHEMBL28118706 0.72 AR (0.65) ARMEN1LMNATP53CYP1A2
SCHEMBL28118256 0.72 AR (0.64) ARAOC3MEN1LMNATP53
SCHEMBL28291524 0.72 AR (0.39) ARAOC3MEN1KMT2A
SCHEMBL15264125 0.65 MGLL (0.47) AOC3FAAH
SCHEMBL27468096 0.64 KDM1A (0.39)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106573921-B Imidazolidine-2, 4-dione derivatives 博福-益普生(天津)制药有限公司 2019-05-07 CN disclosed
CN-106573921-A Novel imidazolidine-2, 4-dione derivatives 博福-益普生(天津)制药有限公司 2017-04-19 CN disclosed