SCHEMBL29065799

SCHEMBL29065799

Cc1ccc(-c2nc3c(C)cccc3c(=O)n2Cc2ccccc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.73
MEN1 O00255 2/20 0.73
KMT2A Q03164 2/20 0.73
SMN1; SMN2 Q16637 4/20 0.60
LMNA P02545 2/20 0.60
RECQL P46063 2/20 0.60
RAB9A P51151 1/20 0.60
GAA P10253 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
BCL2 P10415 1/20 0.54
MCL1 Q07820 1/20 0.54
CASR P41180 1/20 0.53
NPSR1 Q6W5P4 1/20 0.49
MAPT P10636 2/20 0.49
POLB P06746 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL28738320 0.94 ALDH1A1 (0.68) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL29065795 0.91 ALDH1A1 (0.64) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL29065800 0.90 ALDH1A1 (0.72) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL28738360 0.88 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL29065794 0.86 KMT2A (0.55) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL28738377 0.83 CASR (0.55) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL29065792 0.82 CASR (0.53) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL29830051 0.82 TP53 (0.60) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL29065791 0.80 MAPT (0.55) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL28738301 0.79 MAPT (0.54) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA

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