SCHEMBL8941932

SCHEMBL8941932

CCOC(=O)c1cn(C(C)(C)C)c2nc3cc(F)c(F)cc3cc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 4/20 0.40
TSHR P16473 3/20 0.40
STAT3 P40763 2/20 0.40
MEN1 O00255 2/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
LMNA P02545 2/20 0.38
TOP2A P11388 1/20 0.38
TOP2B Q02880 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL9775895 0.92 KMT2A (0.40) KMT2AALDH1A1TSHRSTAT3MEN1
SCHEMBL9775866 0.86 STAT3 (0.43) KMT2AALDH1A1TSHRSTAT3MEN1
SCHEMBL7234823 0.86 KMT2A (0.47) KMT2AALDH1A1TSHRSTAT3MEN1
SCHEMBL8941946 0.85 ALDH1A1 (0.55) KMT2AALDH1A1TSHRMEN1HTT
SCHEMBL8942074 0.84 KMT2A (0.46) KMT2AALDH1A1TSHRSTAT3MEN1
SCHEMBL501306 0.84 KMT2A (0.46) KMT2AALDH1A1TSHRSTAT3HTT
SCHEMBL9786163 0.83 KMT2A (0.50) KMT2AALDH1A1TSHRSTAT3MEN1
SCHEMBL2093801 0.82 KMT2A (0.44) KMT2AALDH1A1TSHRSTAT3MEN1
SCHEMBL10390918 0.82 BAZ2B (0.42) KMT2AALDH1A1TSHRSTAT3KDM4E
SCHEMBL8942147 0.81 ALDH1A1 (0.40) KMT2AALDH1A1TSHRSTAT3MEN1

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