SCHEMBL9824243

SCHEMBL9824243

CCOC(=O)c1c(SC)n(-c2ccnc(C)c2)c2cc(F)c(F)cc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 5/20 0.38
HPGD P15428 3/20 0.38
ALOX15 P16050 2/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
NPSR1 Q6W5P4 3/20 0.36
MAPT P10636 2/20 0.35
HTT P42858 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35
AXL P30530 3/20 0.34
RXFP1 Q9HBX9 2/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL9824453 0.89 KMT2A (0.45) KMT2AMEN1ALDH1A1HPGDALOX15
SCHEMBL9824642 0.89 MEN1 (0.41) KMT2AMEN1ALDH1A1HPGDALOX15
SCHEMBL9823790 0.85 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1HPGDALOX15
SCHEMBL9824034 0.85 KMT2A (0.47) KMT2AMEN1ALDH1A1HPGDALOX15
SCHEMBL9824318 0.84 KMT2A (0.46) KMT2AMEN1ALDH1A1HPGDALOX15
SCHEMBL9824825 0.83 KMT2A (0.41) KMT2AMEN1ALDH1A1HPGDALOX15
SCHEMBL9824598 0.82 KMT2A (0.44) KMT2AMEN1ALDH1A1HPGDALOX15
SCHEMBL9824154 0.81 KMT2A (0.40) KMT2AMEN1ALDH1A1HPGDALOX15
SCHEMBL9824058 0.79 KDM4E (0.42) KMT2AMEN1ALDH1A1HPGDALOX15
SCHEMBL9823937 0.79 ALDH1A1 (0.40) KMT2AMEN1ALDH1A1HPGDALOX15

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
EP-0227088-B1 ISOXAZOLO-NAPHTHYRIDINE, ISOXAZOLO QUINOLINE, ISOTHIAZOLONAPHTHYRIDINE, AND ISOTHIAZOLOQUINOLINE DERIVATIVES ABBOTT LABORATORIES (US) 1991-08-07 EP disclosed
US-4767762-A Tricyclic quinoline and naphthyride antibacterials ABBOTT LABORATORIES (US) 1988-08-30 US disclosed
EP-0227088-A1 Isoxazolo-naphthyridine, isoxazolo quinoline, isothiazolonaphthyridine, and isothiazoloquinoline derivatives ABBOTT LABORATORIES (US) 1987-07-01 EP disclosed