SCHEMBL3386562

SCHEMBL3386562

c1cnc2nc3csnc3cc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
NPC1 O15118 2/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 3/20 0.38
HTT P42858 3/20 0.38
CASP1 P29466 2/20 0.38
TP53 P04637 2/20 0.38
HSP90AA1 P07900 2/20 0.38
MAPT P10636 2/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HSP90AB1 P08238 1/20 0.38
ATM Q13315 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 2/20 0.35
CASP7 P55210 1/20 0.34
CYP1A2 P05177 1/20 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
SCHEMBL9824798 0.80 LMNA (0.40) NPC1POLBRAB9AKDM4EHTT
SCHEMBL20272946 0.77 ALDH1A1 (0.44) ALDH1A1NPC1POLBRAB9AKDM4E
SCHEMBL997757 0.75 ALDH1A1 (0.54) ALDH1A1NPC1POLBRAB9AKDM4E
SCHEMBL13156531 0.73 ALDH1A1 (0.46) ALDH1A1NPC1POLBRAB9AKDM4E
SCHEMBL1867993 0.72
SCHEMBL8170243 0.72 ALDH1A1 (0.54) ALDH1A1NPC1POLBRAB9AKDM4E
SCHEMBL3417508 0.71 ALDH1A1 (0.36) ALDH1A1NPC1POLBRAB9AKDM4E
SCHEMBL29384237 0.71 ALDH1A1 (0.48) ALDH1A1NPC1POLBRAB9AKDM4E
SCHEMBL832575 0.71 ALDH1A1 (0.48) ALDH1A1NPC1POLBRAB9AKDM4E
SCHEMBL28910441 0.71 ALDH1A1 (0.48) ALDH1A1NPC1POLBRAB9AKDM4E

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1848723-B1 NEW ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS INC (US) 2010-12-15 EP disclosed
EP-0514268-A1 Substituted amino acid azetidinyl pyridone derivatives, their preparation and use as medicines LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1992-11-19 EP disclosed
US-5087621-A Microbiocides LABORATORIOS DEL DR. ESTEVE (ES) 1992-02-11 US disclosed
EP-0227088-B1 ISOXAZOLO-NAPHTHYRIDINE, ISOXAZOLO QUINOLINE, ISOTHIAZOLONAPHTHYRIDINE, AND ISOTHIAZOLOQUINOLINE DERIVATIVES ABBOTT LABORATORIES (US) 1991-08-07 EP disclosed
EP-0227088-B1 ISOXAZOLO-NAPHTHYRIDINE, ISOXAZOLO QUINOLINE, ISOTHIAZOLONAPHTHYRIDINE, AND ISOTHIAZOLOQUINOLINE DERIVATIVES ABBOTT LABORATORIES (US) 1991-08-07 EP disclosed
EP-0394120-A1 Substituted azetidinyl isothiazolo-pyrydone derivatives, their preparation and their use as medicines LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1990-10-24 EP disclosed
US-4880814-A 7-cycloalkyl naphthyridines ABBOTT LABORATORIES (US) 1989-11-14 US disclosed
US-4767762-A Tricyclic quinoline and naphthyride antibacterials ABBOTT LABORATORIES (US) 1988-08-30 US 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
EP-0227088-A1 Isoxazolo-naphthyridine, isoxazolo quinoline, isothiazolonaphthyridine, and isothiazoloquinoline derivatives ABBOTT LABORATORIES (US) 1987-07-01 EP disclosed