SCHEMBL21551829

SCHEMBL21551829

CC(Cc1ccc2c(c1)C(C)(C)c1cc(Sc3ccc([N+](=O)[O-])cc3)ccc1-2)=NO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP26A1 O43174 1/20 0.39
▸ CYP2C19 P33261 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ MAPT P10636 8/20 0.37
▸ MEN1 O00255 5/20 0.37
▸ KMT2A Q03164 5/20 0.37
▸ HPGD P15428 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ HTT P42858 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MAPK1 P28482 3/20 0.36
▸ ALDH1A1 P00352 6/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ NR2F2 P24468 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL21551923 0.81 MAPT (0.43) CYP26A1MAPTMEN1KMT2AHPGD
SCHEMBL4237740 0.75 CYP2C19 (0.61) CYP2C19CYP1A2MAPTMEN1KMT2A
SCHEMBL21551972 0.74 MAPT (0.44) CYP26A1CYP2C19MAPTMEN1KMT2A
SCHEMBL21551965 0.67 SMN1; SMN2 (0.35) MAPTMEN1KMT2AHPGDSMN1; SMN2
SCHEMBL21560519 0.67 CYP3A4 (0.45) CYP2C19MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL19332338 0.66 MEN1 (0.48) CYP26A1CYP2C19CYP1A2MAPTMEN1
SCHEMBL19332336 0.66 MEN1 (0.48) CYP26A1CYP2C19CYP1A2MAPTMEN1
SCHEMBL12282222 0.66 PTPRC (0.53) CYP1A2MAPTMEN1KMT2ALMNA
SCHEMBL5049796 0.66 TDP1 (0.41) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL12820528 0.65 MAPT (0.39) MAPTMEN1KMT2AHTTLMNA

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-2019216600-A1 NOVEL OXIME ESTER COMPOUND AND PHOTORESIST COMPOSITION COMPRISING SAME 주식회사 트리엘 (KR) 2019-11-14 — — WO disclosed
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