SCHEMBL8942058

SCHEMBL8942058

Cn1cc(C(=O)O)c(=O)c2cc3cc(F)c(N4CC(N5CCCC5)C4)cc3nc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.40
KDM4E B2RXH2 7/20 0.40
KMT2A Q03164 3/20 0.40
DRD3 P35462 1/20 0.39
LMNA P02545 6/20 0.39
HPGD P15428 5/20 0.39
HSD17B10 Q99714 5/20 0.39
MAPT P10636 1/20 0.39
EPHA2 P29317 1/20 0.39
FLT4 P35916 1/20 0.39
GSK3B P49841 1/20 0.39
RARB P10826 1/20 0.39
TBXAS1 P24557 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CYP2C9 P11712 2/20 0.39
TOP2A P11388 2/20 0.39
CYP1A2 P05177 1/20 0.39
TOP2B Q02880 1/20 0.39
HTT P42858 2/20 0.38
MEN1 O00255 2/20 0.38

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
SCHEMBL8942177 0.92 LMNA (0.47) ALDH1A1KDM4EKMT2ADRD3LMNA
SCHEMBL7228568 0.88 ALDH1A1 (0.45) ALDH1A1KDM4EKMT2ADRD3LMNA
SCHEMBL8941943 0.88 KDM4E (0.43) ALDH1A1KDM4EKMT2AHPGDHSD17B10
SCHEMBL8942000 0.87 KMT2A (0.48) ALDH1A1KDM4EKMT2ADRD3LMNA
SCHEMBL8942014 0.85 EPHA2 (0.40) ALDH1A1KDM4EKMT2ADRD3LMNA
SCHEMBL9775874 0.85 KMT2A (0.41) ALDH1A1KDM4EKMT2ADRD3LMNA
SCHEMBL8941982 0.85 TOP1 (0.43) ALDH1A1KDM4EKMT2ADRD3LMNA
SCHEMBL9094359 0.84 ALDH1A1 (0.55) ALDH1A1KDM4EKMT2ADRD3LMNA
Water SCHEMBL9776084 0.84 KMT2A (0.40) ALDH1A1KDM4EKMT2ADRD3LMNA
Water SCHEMBL9776074 0.84 KMT2A (0.40) ALDH1A1KDM4EKMT2ADRD3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5556861-A 1,8 benzonaphthyridine derivatives and antimicrobial compositions LABORATOIRE ROGER BELLON (FR) 1996-09-17 US disclosed