SCHEMBL9823950

SCHEMBL9823950

O=c1[nH]oc2c1c(=O)c1cc(F)c(N3CCNCC3)cc1n2-c1ccc(F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 3/20 0.46
CYP2C9 P11712 2/20 0.41
TOP2A P11388 2/20 0.41
CYP1A2 P05177 1/20 0.41
TOP2B Q02880 1/20 0.41
BRD4 O60885 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
CYP2J2 P51589 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDR P35968 2/20 0.39
HTR1A P08908 2/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 1/20 0.37
MEN1 O00255 2/20 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
SCHEMBL9824212 0.91 MEN1 (0.39) LMNAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9824744 0.90 LMNA (0.55) LMNAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL10767733 0.89 KMT2A (0.46) LMNAALDH1A1KDM4EHPGDMEN1
SCHEMBL9824600 0.87 KCNH2 (0.36) LMNAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9824544 0.81 GSK3B (0.33) LMNAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9824623 0.80 KDM4E (0.52) LMNAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9824158 0.80 ALDH1A1 (0.52) LMNAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9824477 0.79 KMT2A (0.55) LMNAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9823980 0.78 KDM4E (0.42) LMNAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL10577456 0.76 KMT2A (0.31) KMT2A

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