SCHEMBL9823980

SCHEMBL9823980

CC1CN(c2cc3c(cc2F)c(=O)c2c(=O)[nH]oc2n3-c2ccc(F)cc2)CCN1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
ALDH1A1 P00352 6/20 0.42
HPGD P15428 6/20 0.42
HSD17B10 Q99714 6/20 0.42
LMNA P02545 4/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KCNH2 Q12809 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
PMP22 Q01453 1/20 0.37
POLB P06746 1/20 0.35
PRKD3 O94806 1/20 0.35
ALOX15 P16050 1/20 0.35
OPRM1 P35372 1/20 0.35
CLK2 P49760 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
BRPF1 P55201 2/20 0.35
BRD4 O60885 2/20 0.35
BCL2A1 Q16548 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
SCHEMBL9824600 0.91 KCNH2 (0.36) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9824744 0.87 LMNA (0.55) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9824004 0.85 TOP1 (0.43) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9824477 0.84 KMT2A (0.55) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL10771643 0.84 LMNA (0.37) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9824309 0.83 HSD17B10 (0.42) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9824954 0.83 KCNH2 (0.43) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9824915 0.82 ALDH1A1 (0.35) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9824515 0.79 HPGD (0.35) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9824114 0.78 ALDH1A1 (0.41) KDM4EALDH1A1HPGDHSD17B10LMNA

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
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