SCHEMBL22792298

SCHEMBL22792298

COc1cc(NCc2cccnc2)n[nH]c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 6/20 0.53
▸ CYP3A4 P08684 6/20 0.53
▸ ALDH1A1 P00352 5/20 0.53
▸ CYP2D6 P10635 5/20 0.53
▸ CYP2C19 P33261 5/20 0.53
▸ HSD17B10 Q99714 5/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ L3MBTL1 Q9Y468 3/20 0.52
▸ POLB P06746 1/20 0.52
▸ PGK1 P00558 3/20 0.51
▸ CLK4 Q9HAZ1 3/20 0.51
▸ ALOX15 P16050 3/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ USP2 O75604 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ RECQL P46063 1/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ HPGD P15428 1/20 0.47
▸ TSHR P16473 3/20 0.47

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
SCHEMBL3122746 0.72 L3MBTL1 (0.67) CYP1A2CYP3A4ALDH1A1CYP2D6CYP2C19
SCHEMBL10555220 0.70 SMN1; SMN2 (0.59) CYP1A2CYP3A4ALDH1A1CYP2D6CYP2C19
SCHEMBL22792244 0.70 CYP3A4 (0.55) CYP1A2CYP3A4ALDH1A1CYP2D6CYP2C19
SCHEMBL22792275 0.70 MEN1 (0.52) CYP1A2CYP3A4ALDH1A1CYP2D6CYP2C19
SCHEMBL22792280 0.70 ALDH1A1 (0.50) CYP3A4ALDH1A1CYP2C19KDM4EL3MBTL1
SCHEMBL9786435 0.70 SMN1; SMN2 (0.53) CYP1A2CYP3A4ALDH1A1CYP2D6CYP2C19
SCHEMBL10750744 0.69 SMN1; SMN2 (0.53) CYP1A2CYP3A4ALDH1A1CYP2D6CYP2C19
SCHEMBL22792621 0.69 CYP1A2 (0.54) CYP1A2CYP3A4ALDH1A1CYP2D6CYP2C19
SCHEMBL22792311 0.69 CYP1A2 (0.53) CYP1A2CYP3A4ALDH1A1CYP2D6CYP2C19
SCHEMBL10562491 0.69 ALDH1A1 (0.60) CYP1A2CYP3A4ALDH1A1CYP2D6CYP2C19

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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