SCHEMBL29065792

SCHEMBL29065792

Cc1ccc(CCc2nc3c(C)cccc3c(=O)n2Cc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.53
ALDH1A1 P00352 4/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
PDE4A P27815 2/20 0.51
PDE4B Q07343 2/20 0.51
PDE4C Q08493 2/20 0.51
PDE4D Q08499 2/20 0.51
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 4/20 0.45
PPARG P37231 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 3/20 0.45
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 1/20 0.44
P2RX4 Q99571 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
SCHEMBL29065793 0.95 CASR (0.57) CASRALDH1A1MEN1KMT2ARXFP1
SCHEMBL29065791 0.84 MAPT (0.55) CASRALDH1A1MEN1KMT2APDE4A
SCHEMBL29065799 0.82 ALDH1A1 (0.73) CASRALDH1A1MEN1KMT2AMAPT
SCHEMBL28738377 0.80 CASR (0.55) CASRALDH1A1MEN1KMT2APDE4A
SCHEMBL29065790 0.79 CASR (0.50) CASRALDH1A1MEN1KMT2APDE4A
SCHEMBL28738320 0.78 ALDH1A1 (0.68) CASRALDH1A1MEN1KMT2AMAPT
SCHEMBL28738301 0.76 MAPT (0.54) CASRALDH1A1MEN1KMT2APDE4A
SCHEMBL29065795 0.74 ALDH1A1 (0.64) CASRALDH1A1MEN1KMT2ARXFP1
SCHEMBL29065800 0.73 ALDH1A1 (0.72) CASRALDH1A1MEN1KMT2AMAPT
SCHEMBL2348949 0.72 PDE4A (0.85) ALDH1A1MEN1KMT2ARXFP1PDE4A

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
CN-114230526-B Synthesis method of 4-3 (H) quinazolinone and derivative thereof 重庆医科大学 2023-06-23 CN claimed
CN-114230526-B Synthesis method of 4-3 (H) quinazolinone and derivative thereof 重庆医科大学 2023-06-23 CN disclosed