SCHEMBL9824813

SCHEMBL9824813

CN1CCN(c2c(F)cc3c(=O)c4c(=O)[nH]oc4n(-c4ccc(F)cc4)c3c2F)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 2/20 0.43
KDM4E B2RXH2 7/20 0.42
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 3/20 0.36
ALB P02768 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
TNKS O95271 2/20 0.36
PARP1 P09874 2/20 0.36
TNKS2 Q9H2K2 2/20 0.36
ADRA2B P18089 1/20 0.36
MAPK1 P28482 1/20 0.36
TUBB4A P04350 1/20 0.36
POLB P06746 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36

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
SCHEMBL9824143 0.91 ALK (0.39) ALKKDM4ELMNAMEN1KMT2A
SCHEMBL9824480 0.90 ALDH1A1 (0.38) ALKKDM4ELMNAALDH1A1HPGD
SCHEMBL9825021 0.84 PIM1 (0.43) ALDH1A1POLBTOP1TOP2A
SCHEMBL9824477 0.83 KMT2A (0.55) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL9824797 0.82 TNKS (0.39) LMNAMEN1KMT2ATNKSPARP1
SCHEMBL9824741 0.81 KDM4E (0.46) ALKKDM4EMEN1KMT2AALDH1A1
SCHEMBL9824887 0.80 ALDH1A1 (0.36) ALKKDM4ELMNAALDH1A1HPGD
SCHEMBL9825033 0.80 KDM4E (0.43) ALKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9839234 0.78 KDM4E (0.44) ALKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL10767733 0.75 KMT2A (0.46) KDM4ELMNAMEN1KMT2AALDH1A1

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