SCHEMBL28697246

SCHEMBL28697246

O=C(OC(=O)c1cnccn1)c1ccnnc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
MAPT P10636 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
POLB P06746 3/20 0.45
TSHR P16473 3/20 0.45
HCAR2 Q8TDS4 2/20 0.44
NAPRT Q6XQN6 1/20 0.44
ADORA3 P0DMS8 1/20 0.43
MC4R P32245 1/20 0.43
ADRA1A P35348 1/20 0.43
MC3R P41968 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RECQL P46063 1/20 0.42
TBXA2R P21731 2/20 0.40
TBXAS1 P24557 2/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL875263 0.83 KDM4E (0.61) KDM4EMAPTTDP1POLBTSHR
SCHEMBL29556324 0.83 KDM4E (0.61) KDM4EMAPTTDP1POLBTSHR
Pyrazinoic Acid SCHEMBL22409664 0.78 HCAR2 (0.67) KDM4EMAPTTSHRHCAR2NAPRT
SCHEMBL8345410 0.76 CES2 (0.50) KDM4EMAPTTDP1POLBTSHR
SCHEMBL28344838 0.73 TSHR (0.62) KDM4EMAPTTDP1POLBTSHR
SCHEMBL16328267 0.73 KDM4E (0.53) KDM4EMAPTTDP1POLBTSHR
SCHEMBL11779790 0.70 KDM4E (0.59) KDM4EMAPTTDP1POLBTSHR
SCHEMBL9616232 0.70 TSHR (0.49) KDM4EMAPTTDP1POLBTSHR
SCHEMBL27587983 0.69 TSHR (0.57) KDM4EMAPTTDP1POLBTSHR
SCHEMBL9563007 0.69 TSHR (0.61) KDM4EMAPTTDP1POLBTSHR

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
CN-114144174-A Methods and compositions for supporting kidney health 加利福尼亚大学董事会 2022-03-04 CN disclosed