SCHEMBL29065795

SCHEMBL29065795

Cc1cccc2c(=O)n(Cc3ccccc3)c(-c3ccc(Cl)cc3)nc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
RECQL P46063 2/20 0.59
LMNA P02545 1/20 0.59
RAB9A P51151 1/20 0.59
GAA P10253 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
BCL2 P10415 1/20 0.53
MCL1 Q07820 1/20 0.53
MAPT P10636 4/20 0.53
CASR P41180 1/20 0.52
TP53 P04637 2/20 0.52
TNKS O95271 1/20 0.49
TNKS2 Q9H2K2 1/20 0.49
PARP2 Q9UGN5 1/20 0.49

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 0.92 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2MEN1KMT2ARECQL
SCHEMBL29065799 0.91 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2MEN1KMT2ARECQL
SCHEMBL29065800 0.89 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2MEN1KMT2ARECQL
SCHEMBL28738360 0.87 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2MEN1KMT2ARECQL
SCHEMBL29065794 0.85 KMT2A (0.55) ALDH1A1SMN1; SMN2MEN1KMT2ARECQL
SCHEMBL28738377 0.82 CASR (0.55) ALDH1A1SMN1; SMN2MEN1KMT2ARECQL
SCHEMBL29065791 0.79 MAPT (0.55) ALDH1A1SMN1; SMN2MEN1KMT2ARECQL
SCHEMBL28738301 0.78 MAPT (0.54) ALDH1A1SMN1; SMN2MEN1KMT2ARECQL
SCHEMBL29065793 0.78 CASR (0.57) ALDH1A1SMN1; SMN2MEN1KMT2ARECQL
SCHEMBL28008951 0.74 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2MEN1KMT2ARECQL

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