SCHEMBL28649735

SCHEMBL28649735

O=C(O)[C@@H]1C[C@H]1C(=O)Oc1ccc([N+](=O)[O-])c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
RAPGEF3 O95398 1/20 0.36
FFAR4 Q5NUL3 12/20 0.36
FFAR1 O14842 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CASP6 P55212 1/20 0.35
TTR P02766 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL28649738 1.00 ATM (0.43) ATMTDP1RAPGEF3FFAR4FFAR1
SCHEMBL28655379 0.95 TDP1 (0.47) ATMTDP1RAPGEF3FFAR4FFAR1
SCHEMBL28664262 0.84 MAPK1 (0.43) TDP1L3MBTL1TTRMEN1KMT2A
SCHEMBL28664266 0.84 MAPK1 (0.43) TDP1L3MBTL1TTRMEN1KMT2A
SCHEMBL28650765 0.78 NPC1 (0.50) L3MBTL1MEN1KMT2ARAB9ALMNA
SCHEMBL28655012 0.78 MAPK1 (0.47) TDP1TTRMEN1KMT2ALMNA
SCHEMBL25242510 0.76 TDP1 (0.51) ATMTDP1RAPGEF3CASP6TTR
SCHEMBL27357985 0.76 ATM (0.51) ATMTDP1RAPGEF3TTRMEN1
SCHEMBL28668421 0.76 ALDH1A1 (0.47) TDP1L3MBTL1MEN1KMT2ARAB9A
SCHEMBL2937774 0.74 ATM (0.46) ATMTDP1RAPGEF3CASP6MEN1

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-113717062-A Compound, polymer, liquid crystal aligning agent, liquid crystal alignment film, liquid crystal display element, and production method 捷恩智株式会社 2021-11-30 CN disclosed