SCHEMBL9824477

SCHEMBL9824477

CN1CCN(c2cc3c(cc2F)c(=O)c2c(=O)[nH]oc2n3-c2ccc(F)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
LMNA P02545 2/20 0.55
ALDH1A1 P00352 4/20 0.43
DRD3 P35462 1/20 0.43
KDM4E B2RXH2 6/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 1/20 0.41
RAD52 P43351 1/20 0.41
THRB P10828 2/20 0.41
NPC1 O15118 2/20 0.40
POLB P06746 1/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL10767733 0.90 KMT2A (0.46) KMT2AMEN1LMNAALDH1A1DRD3
SCHEMBL9824744 0.89 LMNA (0.55) KMT2AMEN1LMNAALDH1A1KDM4E
SCHEMBL9823980 0.84 KDM4E (0.42) KMT2AMEN1LMNAALDH1A1KDM4E
SCHEMBL9824813 0.83 ALK (0.43) KMT2AMEN1LMNAALDH1A1KDM4E
SCHEMBL9824004 0.83 TOP1 (0.43) KMT2AMEN1LMNAALDH1A1KDM4E
SCHEMBL9824515 0.83 HPGD (0.35) KMT2AMEN1LMNAALDH1A1KDM4E
SCHEMBL10771643 0.82 LMNA (0.37) KMT2AMEN1LMNAALDH1A1KDM4E
SCHEMBL9824932 0.81 DRD3 (0.50) KMT2AMEN1LMNAALDH1A1DRD3
SCHEMBL9824143 0.81 ALK (0.39) KMT2AMEN1LMNAALDH1A1KDM4E
SCHEMBL9824797 0.81 TNKS (0.39) KMT2AMEN1LMNA

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