SCHEMBL23845464

SCHEMBL23845464

N/N=C(\N)c1ccc(Cl)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAPRT Q6XQN6 1/20 0.52
▸ ADRA2A P08913 2/20 0.48
▸ ADRA2B P18089 2/20 0.48
▸ ADRA2C P18825 2/20 0.48
▸ DGAT1 O75907 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.41
▸ EGFR P00533 2/20 0.41
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PIK3CD O00329 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ IDO1 P14902 1/20 0.38
▸ TDO2 P48775 1/20 0.38
▸ KCNQ3 O43525 1/20 0.38
▸ KCNQ2 O43526 1/20 0.38
▸ KCNE1 P15382 1/20 0.38
▸ KCNQ1 P51787 1/20 0.38
▸ MDM4 O15151 1/20 0.37

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
SCHEMBL30515503 0.84 NAPRT (0.52) NAPRTADRA2AADRA2BADRA2CDGAT1
SCHEMBL1726659 0.84 NAPRT (0.52) NAPRTADRA2AADRA2BADRA2CDGAT1
SCHEMBL13342190 0.84 NAPRT (0.52) NAPRTADRA2AADRA2BADRA2CDGAT1
SCHEMBL1726660 0.84 NAPRT (0.52) NAPRTADRA2AADRA2BADRA2CDGAT1
SCHEMBL17778492 0.84 NAPRT (0.52) NAPRTADRA2AADRA2BADRA2CDGAT1
SCHEMBL14445416 0.79 DGAT1 (0.51) NAPRTADRA2AADRA2BADRA2CDGAT1
SCHEMBL19719710 0.79 NAPRT (0.47) NAPRTADRA2AADRA2BADRA2CDGAT1
SCHEMBL9769007 0.78 NAPRT (0.50) NAPRTADRA2AADRA2BADRA2CDGAT1
SCHEMBL14433314 0.78 DGAT1 (0.46) NAPRTADRA2AADRA2BADRA2CDGAT1
SCHEMBL388168 0.75 NAPRT (0.67) NAPRTADRA2AADRA2BADRA2CDGAT1

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-2021188938-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND USE AKEBIA THERAPEUTICS, INC. (US) 2021-09-23 — — WO disclosed
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