SCHEMBL23845527

SCHEMBL23845527

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NNMT P40261 1/20 0.42
▸ HCAR3 P49019 5/20 0.36
▸ ADRA2A P08913 4/20 0.35
▸ ADRA2B P18089 4/20 0.35
▸ ADRA2C P18825 4/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL19719710 0.79 NAPRT (0.47) ADRA2AADRA2BADRA2CGAAMEN1
SCHEMBL383413 0.76 NNMT (0.70) NNMTHCAR3KDM4E
Hydrazine SCHEMBL628678 0.74 NNMT (0.68) NNMTHCAR3KDM4E
SCHEMBL8722229 0.72 NNMT (0.50) NNMTHCAR3KDM4EGAAMAPT
SCHEMBL29505896 0.72 HCAR3 (0.67) HCAR3
SCHEMBL16382028 0.72 HCAR3 (0.43) NNMTHCAR3
SCHEMBL158601 0.72 HCAR3 (0.67) HCAR3
Acetone SCHEMBL17558521 0.71 NNMT (0.69) NNMTHCAR3KDM4E
Hydrochloric Acid SCHEMBL5789616 0.70 HCAR3 (0.65) HCAR3
SCHEMBL217496 0.70 NNMT (0.49) NNMTHCAR3KDM4EMAPTLMNA

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
Send feedback