SCHEMBL31448413

SCHEMBL31448413

C#CCn1c(=O)c(-c2ccc(C)cc2)nc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CFTR P13569 7/20 0.53
KDM4E B2RXH2 3/20 0.51
HPGD P15428 3/20 0.51
ALDH1A1 P00352 2/20 0.51
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
LMNA P02545 1/20 0.48
PTBP1 P26599 1/20 0.48
ADORA3 P0DMS8 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
TP53 P04637 2/20 0.46
POLB P06746 1/20 0.46
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL981951 0.84 CFTR (0.62) CFTRKDM4EHPGDALDH1A1GAA
SCHEMBL31448338 0.84 CFTR (0.62) CFTRKDM4EHPGDALDH1A1GAA
SCHEMBL31448365 0.82 CFTR (0.61) CFTRKDM4EHPGDALDH1A1GAA
SCHEMBL28458600 0.81 KDM4E (0.57) KDM4EHPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL30139975 0.81 CFTR (0.82) CFTRKDM4EHPGDALDH1A1GAA
SCHEMBL28366027 0.81 CFTR (0.82) CFTRKDM4EHPGDALDH1A1GAA
SCHEMBL31448481 0.80 KDM4E (0.70) CFTRKDM4EHPGDALDH1A1GAA
SCHEMBL31448372 0.79 CFTR (0.52) CFTRKDM4EHPGDALDH1A1GAA
SCHEMBL28516529 0.78 KDM4E (0.82) KDM4EHPGDALDH1A1GAASMN1; SMN2
SCHEMBL30139977 0.78 KDM4E (0.82) KDM4EHPGDALDH1A1GAASMN1; SMN2

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-119913525-A Electrochemical synthesis method of 3-aryl quinoxalinone compound 新疆大学 2025-05-02 CN disclosed