SCHEMBL28104443

SCHEMBL28104443

CCC(C)(C)c1cc([N+](=O)[O-])cc(F)c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 4/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ GALR3 O60755 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ LMNA P02545 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ GAA P10253 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ GPR35 Q9HC97 5/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ TTR P02766 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL1137222 0.76 ALDH1A1 (0.57) HTTMEN1KMT2AL3MBTL1GALR3
SCHEMBL17378837 0.73 GPR35 (0.39) HTTMEN1KMT2AL3MBTL1GALR3
SCHEMBL22877818 0.72 ALDH1A1 (0.53) HTTMEN1KMT2AL3MBTL1GALR3
SCHEMBL16744703 0.72 HTT (0.46) HTTMEN1KMT2AL3MBTL1GALR3
SCHEMBL25276334 0.72 ALDH1A1 (0.65) HTTMEN1KMT2AL3MBTL1GALR3
SCHEMBL9807400 0.71 CYP1A2 (0.45) HTTMEN1KMT2AL3MBTL1GALR3
SCHEMBL3236587 0.71 MEN1 (1.00) HTTMEN1KMT2AL3MBTL1GALR3
SCHEMBL21653950 0.70 ALDH1A1 (0.51) HTTMEN1KMT2AL3MBTL1GALR3
SCHEMBL28104172 0.70 MEN1 (0.46) HTTMEN1KMT2AL3MBTL1GALR3
SCHEMBL429752 0.70 GPR35 (0.71) HTTMEN1KMT2ASMN1; SMN2LMNA

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
CN-106065009-B Application as the compound of hepatitis c inhibitor and its in drug 广东东阳光药业有限公司 2019-03-01 — — CN disclosed
CN-106065009-A As the compound of hepatitis c inhibitor and the application in medicine thereof 广东东阳光药业有限公司 2016-11-02 — — CN disclosed
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