SCHEMBL31346023

SCHEMBL31346023

Cc1cc(C(F)(F)F)cc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.53
▸ TSHR P16473 4/20 0.53
▸ ALDH1A1 P00352 4/20 0.53
▸ CYP3A4 P08684 3/20 0.53
▸ HPGD P15428 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ HIF1A Q16665 1/20 0.53
▸ TXNRD1 Q16881 1/20 0.53
▸ TXNRD3 Q86VQ6 1/20 0.53
▸ TXNRD2 Q9NNW7 1/20 0.53
▸ HRAS P01112 1/20 0.41
▸ MAPK1 P28482 2/20 0.40
▸ PTPN5 P54829 1/20 0.38
▸ MAPT P10636 4/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ GAA P10253 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38

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 0.89 TSHR (0.60) TDP1TSHRALDH1A1CYP3A4HPGD
SCHEMBL2792876 0.82 TSHR (0.53) TDP1TSHRALDH1A1CYP3A4HPGD
SCHEMBL30038307 0.82 TSHR (0.53) TDP1TSHRALDH1A1CYP3A4HPGD
SCHEMBL29896834 0.80 ALDH1A1 (0.48) TDP1TSHRALDH1A1CYP3A4HPGD
SCHEMBL31495114 0.80 TDP1 (0.47) TDP1TSHRALDH1A1CYP3A4HPGD
SCHEMBL23302367 0.80 ALDH1A1 (0.48) TDP1TSHRALDH1A1CYP3A4HPGD
SCHEMBL10443431 0.77 CYP3A4 (0.66) TDP1TSHRALDH1A1CYP3A4HPGD
SCHEMBL29712918 0.77 TSHR (0.72) TDP1TSHRALDH1A1HPGDMAPK1
SCHEMBL12661870 0.77 TSHR (0.72) TDP1TSHRALDH1A1HPGDMAPK1
SCHEMBL10493788 0.76 TSHR (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4712967-A2 G-PROTEIN COUPLED RECEPTOR ANTAGONIST Enveda Therapeutics, Inc. (US) 2026-03-25 — — EP disclosed
WO-2024239000-A2 G-PROTEIN COUPLED RECEPTOR ANTAGONIST ENVEDA THERAPEUTICS, INC. (US) 2024-11-21 — — WO disclosed
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