SCHEMBL22792280

SCHEMBL22792280

COc1cc(NCc2cccnc2)cc(=O)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.50
▸ LTA4H P09960 1/20 0.50
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ MAPT P10636 2/20 0.47
▸ PABPC1 P11940 1/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ PGK1 P00558 1/20 0.46
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ PDE4A P27815 1/20 0.44
▸ PDE4B Q07343 1/20 0.44
▸ PDE4C Q08493 1/20 0.44
▸ PDE4D Q08499 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ GRM2 Q14416 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43

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
SCHEMBL22792275 0.78 MEN1 (0.52) ALDH1A1MEN1KMT2AL3MBTL1POLB
SCHEMBL29657492 0.75 LTA4H (0.56) ALDH1A1LTA4HMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL8690556 0.74 LTA4H (0.55) ALDH1A1LTA4HMEN1KMT2AMAPT
SCHEMBL2908596 0.73 ALDH1A1 (0.69) ALDH1A1LTA4HMEN1KMT2AMAPT
SCHEMBL3122746 0.72 L3MBTL1 (0.67) ALDH1A1LTA4HMEN1KMT2AMAPT
SCHEMBL19312422 0.72 LTA4H (0.60) ALDH1A1LTA4HMEN1KMT2AMAPT
SCHEMBL22792726 0.71 LTA4H (0.55) ALDH1A1LTA4HMEN1KMT2AMAPT
SCHEMBL22792298 0.70 CYP1A2 (0.53) ALDH1A1MEN1KMT2AL3MBTL1POLB
SCHEMBL5605047 0.70 LTA4H (0.82) ALDH1A1LTA4HMEN1KMT2AMAPT
SCHEMBL10750744 0.69 SMN1; SMN2 (0.53) ALDH1A1LTA4HKMT2AL3MBTL1POLB

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
Send feedback