SCHEMBL8941980

SCHEMBL8941980

CCOC(=O)c1cn(C)c2nc3cc(N4CC(N(CC)CC)C4)c(F)cc3cc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 2/20 0.42
KMT2A Q03164 2/20 0.36
BAZ2B Q9UIF8 1/20 0.36
BAZ2A Q9UIF9 1/20 0.36
MEN1 O00255 1/20 0.35
MAP2K2 P36507 1/20 0.35
MAP2K1 Q02750 1/20 0.35
ADRB2 P07550 1/20 0.34
HTT P42858 1/20 0.34
CYP2C19 P33261 1/20 0.34
STAT3 P40763 1/20 0.34
TSHR P16473 1/20 0.34
TOP2B Q02880 1/20 0.33
POLR1A O95602 1/20 0.33

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
SCHEMBL8942157 0.92 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL8942045 0.90 DRD3 (0.41) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL8941993 0.86 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL8941971 0.86 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL8941943 0.86 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL9786124 0.84 ALDH1A1 (0.48) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL8942125 0.83 ALDH1A1 (0.51) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL7234823 0.82 KMT2A (0.47) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL8941953 0.82 ADRB2 (0.45) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL7228015 0.81 ALDH1A1 (0.47) KDM4EALDH1A1HPGDHSD17B10KMT2A

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