SCHEMBL31344822

SCHEMBL31344822

COc1ccc(C)c(-c2c(N)c(C#N)cc3c2OCC3)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.38
MAPT P10636 3/20 0.38
HSD17B10 Q99714 4/20 0.38
USP2 O75604 3/20 0.38
MAPK1 P28482 3/20 0.38
KDM4E B2RXH2 7/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 4/20 0.38
ATM Q13315 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
S1PR4 O95977 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
EGFR P00533 2/20 0.34
GSK3B P49841 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
SCHEMBL31344805 0.84 MAOA (0.36) LMNAHSD17B10MAPK1KDM4EALDH1A1
SCHEMBL27403358 0.70 KDM4E (0.40) MAPTHSD17B10USP2MAPK1KDM4E
SCHEMBL30905538 0.70 KDM4E (0.40) MAPTHSD17B10USP2MAPK1KDM4E
SCHEMBL31303763 0.69 KDM4E (0.43) HSD17B10USP2MAPK1KDM4EALDH1A1
SCHEMBL27402501 0.68 LMNA (0.42) LMNAMAPTUSP2KDM4EALDH1A1
SCHEMBL30905579 0.68 LMNA (0.42) LMNAMAPTUSP2KDM4EALDH1A1
SCHEMBL31344845 0.68 XDH (0.33) MAPKAPK2
SCHEMBL30971219 0.67 KDM4E (0.37) HSD17B10USP2MAPK1KDM4EALDH1A1
SCHEMBL25384074 0.67 LMNA (0.44) LMNAMAPTHSD17B10KDM4EALDH1A1
SCHEMBL30971156 0.66 ALDH1A1 (0.38) LMNAMAPTUSP2MAPK1KDM4E

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-119569651-A Carboxamide derivatives, pharmaceutical compositions containing the same, and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2025-03-07 CN disclosed