SCHEMBL22792726

SCHEMBL22792726

COc1cc(NCc2cccnc2)cnn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ MAPT P10636 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ PABPC1 P11940 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ GSK3B P49841 1/20 0.49
▸ PGK1 P00558 1/20 0.49
▸ CYP3A4 P08684 4/20 0.48
▸ CYP2C19 P33261 4/20 0.48
▸ CYP2C9 P11712 3/20 0.48
▸ KDM4E B2RXH2 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ RAB9A P51151 1/20 0.46
▸ CD274 Q9NZQ7 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ CYP1A2 P05177 4/20 0.46
▸ CYP2D6 P10635 4/20 0.46

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
SCHEMBL22792244 0.77 CYP3A4 (0.55) LTA4HALDH1A1MEN1KMT2APGK1
SCHEMBL2908596 0.77 ALDH1A1 (0.69) LTA4HALDH1A1MAPTMEN1PABPC1
SCHEMBL19312422 0.76 LTA4H (0.60) LTA4HALDH1A1MAPTMEN1PABPC1
SCHEMBL3122746 0.76 L3MBTL1 (0.67) LTA4HALDH1A1MAPTMEN1PABPC1
SCHEMBL4190213 0.75 BACE1 (0.55) LTA4HALDH1A1MAPTMEN1PABPC1
SCHEMBL5605047 0.73 LTA4H (0.82) LTA4HALDH1A1MAPTMEN1PABPC1
SCHEMBL22792311 0.73 CYP1A2 (0.53) LTA4HALDH1A1MEN1KMT2AGSK3B
SCHEMBL22792621 0.73 CYP1A2 (0.54) LTA4HALDH1A1MEN1KMT2AGSK3B
SCHEMBL2909164 0.73 PGK1 (0.60) LTA4HALDH1A1MAPTMEN1PABPC1
SCHEMBL2905635 0.73 MAPT (0.71) LTA4HALDH1A1MAPTMEN1PABPC1

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-2020252229-A2 INHIBITORS OF SARM1 DISARM THERAPEUTICS, INC. (US) 2020-12-17 — — WO disclosed
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