SCHEMBL9824741

SCHEMBL9824741

CCn1c2o[nH]c(=O)c2c(=O)c2cc(F)c(N3CCN(C)CC3)c(F)c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.46
ALK Q9UM73 2/20 0.42
ALDH1A1 P00352 7/20 0.38
HPGD P15428 7/20 0.38
HSD17B10 Q99714 5/20 0.38
ALB P02768 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ADRA2B P18089 1/20 0.38
MAPK1 P28482 1/20 0.38
TUBB4A P04350 1/20 0.38
POLB P06746 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38

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
SCHEMBL9824213 0.91 PIM1 (0.40) KDM4EALKALDH1A1HPGDHSD17B10
SCHEMBL9824513 0.89 ALDH1A1 (0.40) KDM4EALKALDH1A1HPGDHSD17B10
SCHEMBL9824649 0.83 PIM1 (0.45) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL9825503 0.83 KDM4E (0.56) KDM4EALKALDH1A1HPGDHSD17B10
SCHEMBL9824932 0.82 DRD3 (0.50) KDM4EALDH1A1HPGDPOLBPIM1
SCHEMBL9825033 0.82 KDM4E (0.43) KDM4EALKALDH1A1HPGDHSD17B10
SCHEMBL9824813 0.81 ALK (0.43) KDM4EALKALDH1A1HPGDHSD17B10
SCHEMBL9824232 0.81 LMNA (0.42) KDM4EALDH1A1HPGDPIM1GSK3A
SCHEMBL9824851 0.81 PIM1 (0.40) KDM4EALKALDH1A1HPGDHSD17B10
SCHEMBL9214098 0.80 KDM4E (0.45) KDM4EALKALDH1A1HPGDHSD17B10

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