SCHEMBL29049463

SCHEMBL29049463

NNC(=O)c1cnc(-c2cccnn2)nc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.47
EGLN1 Q9GZT9 3/20 0.41
CYP2C8 P10632 1/20 0.37
EGLN2 Q96KS0 1/20 0.37
EGLN3 Q9H6Z9 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KCNH2 Q12809 1/20 0.36
ATM Q13315 1/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 1/20 0.36
MITF O75030 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
NCOA1 Q15788 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
GLA P06280 1/20 0.34
KDM4E B2RXH2 3/20 0.34
MPO P05164 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL30525574 1.00 P2RX7 (0.47) P2RX7EGLN1CYP2C8EGLN2EGLN3
SCHEMBL30525571 0.84 HPGDS (0.48) P2RX7ALDH1A1MAPTMEN1MITF
SCHEMBL29049509 0.84 HPGDS (0.48) P2RX7ALDH1A1MAPTMEN1MITF
SCHEMBL29694398 0.83 DHODH (0.45) EGLN1CYP2C8EGLN2EGLN3ALDH1A1
SCHEMBL932031 0.83 DHODH (0.45) EGLN1CYP2C8EGLN2EGLN3ALDH1A1
SCHEMBL3406643 0.82 EGLN1 (0.63) EGLN1CYP2C8EGLN2EGLN3ALDH1A1
SCHEMBL16386456 0.82 EGLN1 (0.36) P2RX7EGLN1CYP2C8EGLN2EGLN3
SCHEMBL2589430 0.82 EGLN1 (0.41) EGLN1CYP2C8EGLN2EGLN3ALDH1A1
SCHEMBL3402667 0.81 EGLN1 (0.53) EGLN1CYP2C8EGLN2EGLN3KCNH2
SCHEMBL3411763 0.80 ALDH1A1 (0.48) ALDH1A1MAPTMEN1GAAKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116514769-B 4-hydroxy pyrimidine-5-formylhydrazone derivative, preparation method, pharmaceutical composition and application 中国药科大学 2024-02-27 CN disclosed
CN-116514769-A 4-hydroxy pyrimidine-5-formylhydrazone derivative, preparation method, pharmaceutical composition and application 中国药科大学 2023-08-01 CN disclosed