SCHEMBL28308015

SCHEMBL28308015

CCCCCc1nc2ccccc2c(=O)n1N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 1.00
ATM Q13315 1/20 1.00
LMNA P02545 5/20 0.97
TSHR P16473 1/20 0.97
PDE4A P27815 1/20 0.60
PDE4B Q07343 1/20 0.60
PDE4C Q08493 1/20 0.60
PDE4D Q08499 1/20 0.60
ALDH1A1 P00352 3/20 0.57
MAPK1 P28482 1/20 0.57
MAPT P10636 3/20 0.57
GAA P10253 2/20 0.57
NPC1 O15118 4/20 0.57
HTR1A P08908 1/20 0.56
HTR3A P46098 1/20 0.56
KDM4E B2RXH2 1/20 0.55
RAB9A P51151 5/20 0.54
USP2 O75604 1/20 0.54
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52

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
SCHEMBL28308021 0.99 LMNA (1.00) SMN1; SMN2ATMLMNATSHRPDE4A
SCHEMBL28307048 0.99 LMNA (1.00) SMN1; SMN2ATMLMNATSHRPDE4A
SCHEMBL5928664 0.96 SMN1; SMN2 (0.92) SMN1; SMN2ATMLMNATSHRPDE4A
SCHEMBL28308019 0.90 SMN1; SMN2 (0.81) SMN1; SMN2ATMLMNATSHRPDE4A
SCHEMBL3714715 0.83 SMN1; SMN2 (0.71) SMN1; SMN2ATMLMNATSHRALDH1A1
SCHEMBL4852673 0.83 ATM (0.71) SMN1; SMN2ATMLMNATSHRPDE4A
SCHEMBL28307050 0.82 SMN1; SMN2 (0.70) SMN1; SMN2ATMLMNATSHRPDE4A
SCHEMBL28308022 0.82 SMN1; SMN2 (0.70) SMN1; SMN2ATMLMNATSHRPDE4A
SCHEMBL14743414 0.82 SMN1; SMN2 (0.69) SMN1; SMN2ATMLMNATSHRALDH1A1
SCHEMBL11501103 0.82 PDE4A (0.70) SMN1; SMN2ATMLMNATSHRPDE4A

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-110041306-B 4-hydroxy-2-quinolone-N- (4-quinazolinone) -3-carboxamide derivatives 中国医学科学院药物研究所 2022-01-11 CN disclosed
CN-110041306-A 4- hydroxyl -2- quinolone-nitrogen-(4- quinazolinone) -3- carboxamides derivatives 中国医学科学院药物研究所 2019-07-23 CN disclosed