SCHEMBL21551923

SCHEMBL21551923

CCCc1ccc2c(c1)C(C)(C)c1cc(Sc3ccc([N+](=O)[O-])cc3)ccc1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ LMNA P02545 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ CYP26A1 O43174 1/20 0.38
▸ MAPK1 P28482 2/20 0.37
▸ NPBWR1 P48145 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ PDK2 Q15119 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ ALOX5 P09917 1/20 0.35
▸ LOXL2 Q9Y4K0 1/20 0.35

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
SCHEMBL21551909 0.81 PDK2 (0.52) MAPTMEN1KMT2AHTTNPSR1
SCHEMBL21551829 0.81 CYP26A1 (0.39) MAPTMEN1KMT2ALMNAHPGD
SCHEMBL21551972 0.79 MAPT (0.44) MAPTMEN1KMT2ALMNAHPGD
SCHEMBL21552264 0.73 CASP3 (0.39) MAPTMEN1KMT2ALMNAHPGD
SCHEMBL5049796 0.72 TDP1 (0.41) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL670267 0.72 TSHR (0.64) MAPTALDH1A1POLBNPBWR1TSHR
SCHEMBL21551947 0.71 PDK2 (0.44) PDK2
SCHEMBL21560519 0.71 CYP3A4 (0.45) MAPTMEN1KMT2ALMNASMN1; SMN2
Ammonia Solution, Strong SCHEMBL18045579 0.70 TSHR (0.62) MAPTALDH1A1POLBNPBWR1TSHR
SCHEMBL12282222 0.70 PTPRC (0.53) MAPTMEN1KMT2ALMNAALDH1A1

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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