SCHEMBL29435875

SCHEMBL29435875

Cc1ccc(-c2c([N+](=O)[O-])c([N+](=O)[O-])c(-c3ccc(C)s3)c3nsnc23)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.43
▸ ALDH1A1 P00352 4/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ TXNRD1 Q16881 3/20 0.38
▸ TXNRD3 Q86VQ6 3/20 0.38
▸ TXNRD2 Q9NNW7 3/20 0.38
▸ GAA P10253 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ APP P05067 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ GFER P55789 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ MEN1 O00255 2/20 0.30
▸ KMT2A Q03164 2/20 0.30

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
SCHEMBL28719228 0.83 TXNRD1 (0.46) MAPTALDH1A1TDP1TXNRD1TXNRD3
SCHEMBL15559884 0.83 MAPT (0.39) MAPTALDH1A1TDP1TXNRD1TXNRD3
SCHEMBL862637 0.77 ALDH1A1 (0.37) MAPTALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL14123535 0.74 TXNRD1 (0.41) MAPTALDH1A1TDP1TXNRD1TXNRD3
SCHEMBL15249165 0.74 ALDH1A1 (0.35) MAPTALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL14123536 0.74 ALDH1A1 (0.43) MAPTALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL14123560 0.73 MAPT (0.46) MAPTALDH1A1TDP1TXNRD1TXNRD3
SCHEMBL24347886 0.73 ALDH1A1 (0.38) MAPTALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL21931872 0.72 APP (0.34) MAPTALDH1A1RAB9AAPPTSHR
SCHEMBL29435891 0.71 MAPT (0.39) MAPTALDH1A1SMN1; SMN2L3MBTL1LMNA

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-114163455-A Compound, composition, liquid crystal composition, and liquid crystal display element or light control element DIC株式会社 2022-03-11 — — CN disclosed
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