SCHEMBL9824232

SCHEMBL9824232

CCn1c2nc(N3CCN(C)CC3)c(F)cc2c(=O)c2c(=O)[nH]oc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
CYP2C9 P11712 1/20 0.42
ATP6V1B2 P21281 1/20 0.42
TBXA2R P21731 1/20 0.42
EDNRA P25101 1/20 0.42
TARBP2 Q15633 1/20 0.42
PIM1 P11309 2/20 0.36
PIM2 Q9P1W9 2/20 0.36
GSK3A P49840 1/20 0.36
PIM3 Q86V86 1/20 0.36
DRD3 P35462 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.32
RAD52 P43351 1/20 0.32
HRH4 Q9H3N8 4/20 0.32
KDM4E B2RXH2 3/20 0.32
HTR6 P50406 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL10770013 0.91 LMNA (0.43) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9825107 0.90 LMNA (0.53) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9824535 0.84 KMT2A (0.45) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9824938 0.83 ALDH1A1 (0.37) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9824797 0.82 TNKS (0.39) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9824741 0.81 KDM4E (0.46) PIM1PIM2GSK3APIM3DRD3
SCHEMBL9824269 0.80 LMNA (0.42) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9824932 0.80 DRD3 (0.50) LMNAPIM1PIM2GSK3APIM3
SCHEMBL9824213 0.78 PIM1 (0.40) PIM1PIM2GSK3APIM3DRD3
SCHEMBL10576387 0.74 PIM1 (0.35) PIM1PIM2GSK3APIM3

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