SCHEMBL31495114

SCHEMBL31495114

COc1cc(C(F)(F)F)cc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.47
▸ TSHR P16473 4/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ CYP3A4 P08684 3/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ TXNRD1 Q16881 1/20 0.47
▸ TXNRD3 Q86VQ6 1/20 0.47
▸ TXNRD2 Q9NNW7 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ BLM P54132 1/20 0.42
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ TTR P02766 1/20 0.38
▸ PPOX P50336 1/20 0.38
▸ PKM P14618 1/20 0.37
▸ GRIN2D O15399 1/20 0.37
▸ GRIN3B O60391 1/20 0.37

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
SCHEMBL16174996 0.83 TSHR (0.60) TDP1TSHRALDH1A1CYP3A4HPGD
SCHEMBL31346023 0.80 TDP1 (0.53) TDP1TSHRALDH1A1CYP3A4HPGD
SCHEMBL31394919 0.80 TSHR (0.43) TDP1TSHRALDH1A1CYP3A4HPGD
SCHEMBL30039907 0.79 ALDH1A1 (0.40) TDP1TSHRALDH1A1CYP3A4HPGD
SCHEMBL2792876 0.77 TSHR (0.53) TDP1TSHRALDH1A1CYP3A4HPGD
SCHEMBL364793 0.77 ALDH1A1 (0.47) TDP1TSHRALDH1A1HPGDKDM4E
SCHEMBL30038307 0.77 TSHR (0.53) TDP1TSHRALDH1A1CYP3A4HPGD
SCHEMBL23302367 0.75 ALDH1A1 (0.48) TDP1TSHRALDH1A1CYP3A4HPGD
SCHEMBL8162628 0.75 TDP1 (0.60) TDP1TSHRALDH1A1CYP3A4HPGD
SCHEMBL29896834 0.75 ALDH1A1 (0.48) TDP1TSHRALDH1A1CYP3A4HPGD

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
WO-2025037871-A1 TRICYCLIC COMPOUND AND USE THEREOF AS MAT2A INHIBITOR 에스케이바이오팜 주식회사 2025-02-20 — — WO disclosed
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