SCHEMBL28617110

SCHEMBL28617110

CCCC(=O)Nc1ccc2nc(C)c(C)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.57
KDM4E B2RXH2 11/20 0.56
KMT2A Q03164 3/20 0.56
HPGD P15428 7/20 0.55
MAPT P10636 5/20 0.55
HSD17B10 Q99714 5/20 0.55
GAA P10253 3/20 0.55
CASP1 P29466 2/20 0.55
ATM Q13315 1/20 0.55
TP53 P04637 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54
RAB9A P51151 6/20 0.53
GLA P06280 1/20 0.53
KLK7 P49862 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.52
NPC1 O15118 3/20 0.52
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51

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
SCHEMBL30702132 0.83 ALDH1A1 (0.52) ALDH1A1KDM4EKMT2AHPGDMAPT
SCHEMBL14355532 0.81 TERT (0.72) ALDH1A1KDM4EKMT2AHPGDMAPT
SCHEMBL28218368 0.80 MAPT (0.58) ALDH1A1KDM4EKMT2AHPGDMAPT
SCHEMBL28623250 0.79 RAB9A (0.66) ALDH1A1KDM4EKMT2AHPGDMAPT
SCHEMBL9613366 0.79 KDM4E (0.75) ALDH1A1KDM4EKMT2AHPGDMAPT
SCHEMBL31312568 0.78 ALDH1A1 (0.57) ALDH1A1KDM4EKMT2AHPGDMAPT
SCHEMBL8358236 0.76 GNG2 (0.73) KMT2AMEN1
SCHEMBL15505562 0.76 FABP3 (0.60) ALDH1A1KDM4EKMT2AHPGDMAPT
SCHEMBL15642202 0.76 ALDH1A1 (0.76) ALDH1A1KDM4EKMT2AHPGDMAPT
SCHEMBL22590411 0.75 P2RY14 (0.62) ALDH1A1KDM4EKMT2AHPGDMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113292539-B Substituted oxopyridine derivatives 拜耳制药股份公司 2023-12-22 CN disclosed
CN-113292539-A Substituted oxopyridine derivatives 拜耳制药股份公司 2021-08-24 CN disclosed
CN-108026072-B Substituted oxopyridine derivatives 拜耳制药股份公司 2021-08-17 CN disclosed