SCHEMBL23647482

SCHEMBL23647482

COc1ccc(Oc2cccc([N+](=O)[O-])c2)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 4/20 0.55
NFE2L2 Q16236 1/20 0.49
MAPT P10636 5/20 0.47
ALDH1A1 P00352 4/20 0.47
LMNA P02545 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TBXA2R P21731 1/20 0.47
HPGD P15428 1/20 0.47
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
AMY1A P0DUB6 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL19399643 0.84 MAPT (0.61) NFE2L2MAPTALDH1A1LMNAMEN1
SCHEMBL25386626 0.82 NFE2L2 (0.55) NFE2L2MAPTALDH1A1LMNAMEN1
SCHEMBL30334863 0.82 NFE2L2 (0.55) NFE2L2MAPTALDH1A1LMNAMEN1
SCHEMBL28317228 0.82 ALDH1A1 (0.53) HSPB1MAPTALDH1A1LMNAMEN1
SCHEMBL515302 0.82 LMNA (0.61) NFE2L2MAPTALDH1A1LMNAMEN1
SCHEMBL28218708 0.82 LMNA (0.61) NFE2L2MAPTALDH1A1LMNAMEN1
SCHEMBL30059246 0.82 LMNA (0.61) NFE2L2MAPTALDH1A1LMNAMEN1
SCHEMBL10829168 0.81 NFE2L2 (0.61) NFE2L2MAPTALDH1A1LMNAMEN1
SCHEMBL30612688 0.81 NFE2L2 (0.59) NFE2L2MAPTALDH1A1LMNAMEN1
SCHEMBL28090002 0.81 NFE2L2 (0.59) NFE2L2MAPTALDH1A1LMNAMEN1

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-2021143706-A1 SUBSTITUTED TRIAZINONES AS THYROID HORMONE RECEPTOR AGONISTS ECCOGENE (SHANGHAI) CO., LTD. (CN) 2021-07-22 WO disclosed