SCHEMBL11246301

SCHEMBL11246301

COc1ccc(CNC2=NCCO2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.47
▸ NPC1 O15118 3/20 0.45
▸ MAPT P10636 3/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ TSHR P16473 2/20 0.45
▸ PRUNE1 Q86TP1 1/20 0.44
▸ EGFR P00533 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ NR2F2 P24468 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ VNN1 O95497 1/20 0.42
▸ CLK4 Q9HAZ1 1/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.42
▸ ADRA2A P08913 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ PKM P14618 1/20 0.41

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
SCHEMBL6368700 0.79 KDM4E (0.44) NPC1MAPTMEN1KMT2ATSHR
SCHEMBL2023829 0.79 ADRA2A (0.50) MAPTKMT2APOLBLMNAADRA2A
SCHEMBL27633073 0.73 LTA4H (0.46) RAB9ATSHRPOLBLMNAALDH1A1
SCHEMBL28904914 0.70 PTGIR (0.64) ADRA2A
SCHEMBL10055019 0.69 MAPT (0.82) RAB9ANPC1MAPTL3MBTL1MEN1
SCHEMBL1844199 0.69 MAPT (0.82) RAB9ANPC1MAPTL3MBTL1MEN1
SCHEMBL5669873 0.69 MAPT (0.82) RAB9ANPC1MAPTL3MBTL1MEN1
SCHEMBL1179041 0.69 MEP1B (0.43) RAB9ANPC1ADRA2AADRA1A
SCHEMBL12870230 0.69 APP (0.42) L3MBTL1TSHREGFRADRA2AALDH1A1
SCHEMBL1178570 0.69 GSK3B (0.44) L3MBTL1GAACLK4ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4315020-A Oxazoline (trifluoroethyl) amine SCIENCE UNION ET CIE (FR) 1982-02-09 — — US disclosed
US-4315019-A Novel aryltrifluoroethylamines and processes for producing the same SCIENCE UNION ET CIE (FR) 1982-02-09 — — US disclosed
US-4267345-A 2-//PYRROL-2-YL, THIEN-2-YL, OR FUR-2-YL/-ALPHA-TRIFLUOROALKYL-AMINOOXAZOLINES; HYPOTENSIVE AGENTS SCIENCE UNION ET CIE (FR) 1981-05-12 — — US disclosed
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