SCHEMBL31411101

SCHEMBL31411101

CNc1ncccc1CN(C)CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ NR4A2 P43354 1/20 0.39
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ CD274 Q9NZQ7 3/20 0.38
▸ PDCD1 Q15116 1/20 0.38
▸ EGFR P00533 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ LTA4H P09960 2/20 0.36

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
SCHEMBL31509862 0.74 CYP1A2 (0.37) KDM4ECYP1A2MAPTTSHRCYP2C19
SCHEMBL17827959 0.73 GRM5 (0.41) KDM4ECYP1A2MAPTCYP2C19ALDH1A1
SCHEMBL1066058 0.73 HTT (0.40) KDM4ECYP1A2MAPTTSHRCYP2C19
SCHEMBL1068663 0.72 KMT2A (0.44) KDM4ECYP1A2MAPTALOX15TSHR
Hydrochloric Acid SCHEMBL11525180 0.72 GRM5 (0.41) KDM4ECYP1A2MAPTCYP2C19ALDH1A1
SCHEMBL12254507 0.72 KMT2A (0.51) KDM4ETDP1MAPTNR4A2ALDH1A1
SCHEMBL11587647 0.71 AKR1B1 (0.55) KDM4ETDP1CYP1A2MAPTNR4A2
SCHEMBL24260237 0.71 KDM4E (0.39) KDM4ECYP1A2MAPTCYP2C19ALDH1A1
SCHEMBL1066057 0.71 CASP3 (0.40) KDM4ETDP1CYP1A2MAPTTSHR
SCHEMBL6634184 0.71 GRM5 (0.40) KDM4ECYP1A2MAPTALOX15ALDH1A1

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-119488486-A Esaconazole sulfate freeze-dried powder injection for injection and preparation method thereof 海南卫康制药(潜山)有限公司 2025-02-21 — — CN disclosed
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