SCHEMBL28954076

SCHEMBL28954076

CC(O)c1cc2c(cc1[N+](=O)[O-])OOC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.42
ALDH1A1 P00352 8/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 8/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 1/20 0.36
MCL1 Q07820 1/20 0.36
HTT P42858 1/20 0.33
PDK1 Q15118 1/20 0.33
MAPK1 P28482 1/20 0.32
TXNRD1 Q16881 1/20 0.31
TXNRD3 Q86VQ6 1/20 0.31
TXNRD2 Q9NNW7 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL29628001 0.77 SRC (0.66) SRCALDH1A1LMNAMAPTMEN1
SCHEMBL668092 0.77 SRC (0.66) SRCALDH1A1LMNAMAPTMEN1
SCHEMBL17257752 0.76 ALDH1A1 (0.34) SRCALDH1A1LMNAMAPTMEN1
SCHEMBL4527628 0.76 ALDH1A1 (0.40) SRCALDH1A1LMNAMAPTMEN1
SCHEMBL11693536 0.74 ALOX15 (0.40) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL11691065 0.74 DTYMK (0.42) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL11697167 0.73 MAPT (0.44) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL22658035 0.72 ALDH1A1 (0.34) SRCALDH1A1LMNA
SCHEMBL11697414 0.72 ALDH1A1 (0.46) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL11693815 0.72 MAPT (0.44) ALDH1A1MAPTMEN1KMT2AL3MBTL1

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-115531535-A Compositions and methods for photochemical control of mTOR signaling and mTOR-dependent autophagy 香港大学 2022-12-30 CN claimed
CN-115531535-A Compositions and methods for photochemical control of mTOR signaling and mTOR-dependent autophagy 香港大学 2022-12-30 CN disclosed