SCHEMBL9775958

SCHEMBL9775958

CCOC(=O)c1cn(OC)c2nc3cc(F)c(F)c(F)c3cc2c1=O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.44
KMT2A Q03164 2/20 0.43
HTT P42858 1/20 0.39
TSHR P16473 3/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 2/20 0.39
ADRB2 P07550 1/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.37
P2RX7 Q99572 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
MAPK1 P28482 1/20 0.37
TBK1 Q9UHD2 1/20 0.37

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
SCHEMBL8942074 0.88 KMT2A (0.46) STAT3KMT2AHTTTSHRALDH1A1
SCHEMBL9775901 0.87 TOP2A (0.38) KMT2ATSHRALDH1A1KDM4ELMNA
SCHEMBL9775869 0.77 KDM4E (0.47) KMT2AHTTALDH1A1KDM4EHPGD
SCHEMBL8941916 0.75 KDM4E (0.41) STAT3KMT2AHTTTSHRALDH1A1
SCHEMBL7234823 0.75 KMT2A (0.47) STAT3KMT2AHTTTSHRALDH1A1
SCHEMBL8941946 0.74 ALDH1A1 (0.55) KMT2AHTTTSHRALDH1A1KDM4E
SCHEMBL8942417 0.73 LMNA (0.39) KMT2AHTTTSHRALDH1A1KDM4E
SCHEMBL8941932 0.72 KMT2A (0.45) STAT3KMT2AHTTTSHRALDH1A1
SCHEMBL9786163 0.72 KMT2A (0.50) STAT3KMT2AHTTTSHRALDH1A1
SCHEMBL8942151 0.72 STAT3 (0.45) STAT3KMT2AHTTTSHRALDH1A1

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 3 patents. 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
US-4990515-A Chemical intermediates RHONE-POULENC SANTE (FR) 1991-02-05 US disclosed
US-4970213-A Benzo(1,8)naphthyridine derivatives as intermediates RHONE-POULENC SANTE (FR) 1990-11-13 US disclosed