SCHEMBL21728685

SCHEMBL21728685

Cc1c(C(=O)NC(C)C)nnn1C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
PSMB8 P28062 1/20 0.43
PSMB9 P28065 1/20 0.43
PSMB5 P28074 1/20 0.43
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.36
GABRA5 P31644 2/20 0.36
CYP1A2 P05177 2/20 0.36
GRM1 Q13255 1/20 0.34
MLYCD O95822 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RECQL P46063 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CNR2 P34972 2/20 0.33
CNR1 P21554 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
SCHEMBL18179861 0.79 BAZ2B (0.46) KDM4EPSMB8PSMB9PSMB5SMN1; SMN2
SCHEMBL10044972 0.76 GRIA1 (0.34) KDM4E
SCHEMBL903084 0.76 GAA (0.50) KDM4EMAPTSMN1; SMN2TP53CYP1A2
SCHEMBL18179934 0.75 ALDH1A1 (0.40) KDM4EPSMB8PSMB9PSMB5MAPT
SCHEMBL12343345 0.72 PTGS2 (0.47) MAPTSMN1; SMN2CYP1A2LMNA
SCHEMBL3700954 0.72 HTT (0.52) KDM4ETP53HPGD
SCHEMBL13184429 0.72 HPGD (0.60) KDM4EMAPTSMN1; SMN2TP53HPGD
SCHEMBL2938277 0.71 PTGS2 (0.35) KDM4EHPGDLMNAL3MBTL1
SCHEMBL14154659 0.71 MEN1 (0.45) KDM4ECYP1A2LMNA
SCHEMBL1412553 0.69 TP53 (0.56) KDM4EMAPTSMN1; SMN2TP53HPGD

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
EP-4249480-A1 DIPHENYLPYRAZOLE COMPOUND, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Northwest A&F University (CN) 2023-09-27 EP disclosed
EP-3154997-B1 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2020-02-19 EP disclosed