SCHEMBL31049358

SCHEMBL31049358

O=[N+]([O-])c1ccc(OC2CC2)cc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.51
ATM Q13315 1/20 0.51
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
FFAR4 Q5NUL3 2/20 0.40
FFAR1 O14842 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
ALDH1A1 P00352 4/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
HIF1A Q16665 1/20 0.39
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HSPB1 P04792 2/20 0.37
VCAM1 P19320 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 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
SCHEMBL31224774 0.94 PTGS1 (0.49) TDP1ATMPTGS1PTGS2FFAR4
SCHEMBL12355282 0.93 ATM (0.45) TDP1ATMPTGS1PTGS2FFAR4
Hydrochloric Acid SCHEMBL29847893 0.89 ATM (0.44) TDP1ATMPTGS1PTGS2FFAR4
Hydrochloric Acid SCHEMBL16513834 0.89 ATM (0.44) TDP1ATMPTGS1PTGS2FFAR4
SCHEMBL12355287 0.88 PTGS1 (0.43) TDP1ATMPTGS1PTGS2FFAR4
SCHEMBL18824873 0.87 ATM (0.46) TDP1ATMPTGS1PTGS2FFAR4
SCHEMBL16532745 0.87 ATM (0.43) TDP1ATMPTGS1PTGS2FFAR4
SCHEMBL16514882 0.87 MAOA (0.45) TDP1ATMALDH1A1MAPTLMNA
SCHEMBL12485845 0.84 GPR119 (0.43) TDP1ATMPTGS1PTGS2FFAR4
SCHEMBL19750865 0.84 ATM (0.40) TDP1ATMPTGS1PTGS2FFAR4

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-118359627-A MTA synergistic PRMT5 inhibitor compounds having a tetracyclic fused ring structure 烨辉医药科技(上海)有限公司 2024-07-19 CN disclosed