SCHEMBL9775932

SCHEMBL9775932

CCOC(=O)c1cn(CC)c2nc3c(F)c(F)c(F)cc3cc2c1=O

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
TSHR P16473 3/20 0.54
MAPK1 P28482 3/20 0.51
MAPT P10636 3/20 0.49
THRB P10828 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
KMT2A Q03164 4/20 0.48
LMNA P02545 3/20 0.48
KDM4E B2RXH2 3/20 0.48
HPGD P15428 3/20 0.48
MEN1 O00255 3/20 0.48
HSD17B10 Q99714 2/20 0.48
NPC1 O15118 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
POLB P06746 1/20 0.46

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
SCHEMBL9786144 0.92 KMT2A (0.47) ALDH1A1TSHRMAPK1MAPTTHRB
SCHEMBL8942151 0.88 STAT3 (0.45) ALDH1A1TSHRMAPK1MAPTTHRB
SCHEMBL9775896 0.86 ALDH1A1 (0.49) ALDH1A1TSHRMAPK1MAPTTHRB
SCHEMBL8941946 0.86 ALDH1A1 (0.55) ALDH1A1TSHRMAPK1MAPTTHRB
SCHEMBL9775904 0.85 LMNA (0.56) ALDH1A1TSHRMAPK1MAPTTHRB
SCHEMBL9775866 0.85 STAT3 (0.43) ALDH1A1TSHRMAPK1MAPTTHRB
SCHEMBL7230077 0.83 ADRB2 (0.50) ALDH1A1TSHRKMT2ALMNAKDM4E
SCHEMBL9775892 0.82 LMNA (0.53) ALDH1A1TSHRMAPK1MAPTTHRB
SCHEMBL3977245 0.82 ALDH1A1 (0.53) ALDH1A1TSHRMAPK1MAPTTHRB
SCHEMBL9775959 0.82 ALDH1A1 (0.52) ALDH1A1TSHRMAPK1MAPTTHRB

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 2 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-4970213-A Benzo(1,8)naphthyridine derivatives as intermediates RHONE-POULENC SANTE (FR) 1990-11-13 US disclosed