SCHEMBL30503539

SCHEMBL30503539

Cc1cc2ccn(C)c2nc1Cl

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PIK3CB P42338 1/20 0.33
PRKCI P41743 1/20 0.32
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
CHRNA7 P36544 2/20 0.31
HSD11B1 P28845 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
CYP2A6 P11509 2/20 0.30

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
SCHEMBL15205408 1.00 APP (0.34) APPKDM4EMAPTRECQLNPSR1
SCHEMBL15205145 0.82 APP (0.35) APPPIK3CBPRKCIDDB1CRBN
SCHEMBL22004963 0.80 PIK3CB (0.35) APPKDM4EPIK3CBPRKCIAPOBEC3A
SCHEMBL26617766 0.79 APP (0.33) APPPIK3CBPRKCIDDB1CRBN
SCHEMBL9285118 0.79 APP (0.39) APPPIK3CBPRKCIDDB1CRBN
SCHEMBL21663754 0.77 XDH (0.34) KDM4EMAPTNPSR1PIK3CBPRKCI
SCHEMBL27262490 0.75 BRD4 (0.38) KDM4EMAPTRECQLNPSR1
SCHEMBL31345628 0.74 ALDH1A1 (0.47) APPKDM4E
SCHEMBL26617809 0.74 ALDH1A1 (0.47) APPKDM4E
SCHEMBL17694886 0.72 RPS6KA5 (0.37) KDM4EMAPTNPSR1PIK3CBPRKCI

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-116323557-A Cyclobutylamide monoacylglycerol lipase modulators 詹森药业有限公司 2023-06-23 CN disclosed