SCHEMBL9775959

SCHEMBL9775959

CCOC(=O)c1cn(CC)c2nc3cc(Cl)c(F)cc3cc2c1=O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
TSHR P16473 3/20 0.52
POLB P06746 3/20 0.48
MAPK1 P28482 3/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
MAPT P10636 3/20 0.48
THRB P10828 1/20 0.47
KMT2A Q03164 4/20 0.46
LMNA P02545 4/20 0.46
RXFP1 Q9HBX9 1/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 3/20 0.46
MEN1 O00255 3/20 0.46
HSD17B10 Q99714 2/20 0.46
NPC1 O15118 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 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
SCHEMBL9775880 0.92 KMT2A (0.45) ALDH1A1TSHRPOLBMAPK1SMN1; SMN2
SCHEMBL8941946 0.92 ALDH1A1 (0.55) ALDH1A1TSHRPOLBMAPK1SMN1; SMN2
SCHEMBL9785255 0.91 KMT2A (0.44) ALDH1A1TSHRPOLBMAPK1SMN1; SMN2
SCHEMBL9532522 0.89 BAZ2B (0.48) ALDH1A1TSHRPOLBMAPTKMT2A
SCHEMBL7229905 0.87 LMNA (0.55) ALDH1A1TSHRPOLBKMT2ALMNA
SCHEMBL9775895 0.86 KMT2A (0.40) ALDH1A1TSHRPOLBMAPK1SMN1; SMN2
SCHEMBL7231247 0.84 ADRB2 (0.46) ALDH1A1TSHRPOLBKMT2ALMNA
SCHEMBL3977245 0.84 ALDH1A1 (0.53) ALDH1A1TSHRPOLBMAPK1SMN1; SMN2
SCHEMBL9786163 0.83 KMT2A (0.50) ALDH1A1TSHRMAPK1SMN1; SMN2MAPT
SCHEMBL9776043 0.83 KMT2A (0.40) ALDH1A1TSHRPOLBMAPK1SMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5053509-A Microbiocides; AIDS LABORATOIRE ROGER BELLON (FR) 1991-10-01 US disclosed
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