SCHEMBL9775896

SCHEMBL9775896

CCOC(=O)c1cn(CC)c2nc3c(F)c(N4CCN(C)CC4)c(F)cc3cc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
KDM4E B2RXH2 4/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
TSHR P16473 3/20 0.46
LMNA P02545 2/20 0.44
CYP2C9 P11712 1/20 0.44
ATP6V1B2 P21281 1/20 0.44
TBXA2R P21731 1/20 0.44
EDNRA P25101 1/20 0.44
TARBP2 Q15633 1/20 0.44
DRD3 P35462 1/20 0.44
MAPK1 P28482 3/20 0.43
MAPT P10636 2/20 0.42
THRB P10828 1/20 0.42
MAPK10 P53779 1/20 0.42
GAA P10253 1/20 0.42
RAD52 P43351 1/20 0.42

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
SCHEMBL9775904 0.90 LMNA (0.56) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL9776017 0.89 KDM4E (0.61) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL9775892 0.88 LMNA (0.53) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL9775934 0.87 KMT2A (0.46) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL9775932 0.86 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL9786183 0.85 KMT2A (0.42) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL9775898 0.82 LMNA (0.44) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL9786144 0.80 KMT2A (0.47) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL9775927 0.80 LMNA (0.42) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL9775882 0.79 LMNA (0.70) ALDH1A1KDM4EHPGDHSD17B10MEN1

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-5004745-A Benzo[1,8]naphthyridine derivatives, their preparation and the compositions which contain them LABORATOIRE ROGER BELLON (FR) 1991-04-02 US disclosed