SCHEMBL8942001

SCHEMBL8942001

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 3/20 0.38
TSHR P16473 3/20 0.38
STAT3 P40763 2/20 0.38
HTT P42858 1/20 0.37
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ADRB2 P07550 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
PTPN11 Q06124 1/20 0.35

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
SCHEMBL9776043 0.93 KMT2A (0.40) KMT2AALDH1A1TSHRSTAT3KDM4E
SCHEMBL8942202 0.84 ALDH1A1 (0.38) KMT2AMEN1ALDH1A1TSHRHTT
SCHEMBL8942257 0.83 ALDH1A1 (0.36) KMT2AMEN1ALDH1A1TSHRSTAT3
SCHEMBL7234823 0.82 KMT2A (0.47) KMT2AMEN1ALDH1A1TSHRSTAT3
SCHEMBL8941946 0.81 ALDH1A1 (0.55) KMT2AMEN1ALDH1A1TSHRHTT
SCHEMBL8942074 0.81 KMT2A (0.46) KMT2AMEN1ALDH1A1TSHRSTAT3
SCHEMBL8941932 0.80 KMT2A (0.45) KMT2AMEN1ALDH1A1TSHRSTAT3
SCHEMBL9786163 0.80 KMT2A (0.50) KMT2AMEN1ALDH1A1TSHRSTAT3
SCHEMBL10996874 0.79 SMN1; SMN2 (0.55) KMT2AMEN1ALDH1A1TSHRHTT
SCHEMBL8942057 0.78 ADRB2 (0.49) KMT2AMEN1ALDH1A1TSHRSTAT3

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