SCHEMBL13735601

SCHEMBL13735601

NCc1cncc(OCC(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
LOXL2 Q9Y4K0 2/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
THRB P10828 1/20 0.38
G6PD P11413 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LOX P28300 1/20 0.38
CHRNB2 P17787 2/20 0.37
CHRNA6 Q15825 2/20 0.37
CACNA1B Q00975 1/20 0.36
BACE1 P56817 1/20 0.35

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
Hydrochloric Acid SCHEMBL30939141 0.98 ALDH1A1 (0.44) ALDH1A1MAPTLOXL2KDM4EMEN1
SCHEMBL19355693 0.83 CHRNB2 (0.46) ALDH1A1MAPTKDM4EMEN1USP2
SCHEMBL24534141 0.79 ALDH1A1 (0.63) ALDH1A1MAPTKDM4EMEN1USP2
SCHEMBL11918259 0.75 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EMEN1USP2
SCHEMBL651977 0.75 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EMEN1USP2
SCHEMBL25622801 0.74 CHRNB2 (0.45) CHRNB2
SCHEMBL8097441 0.74 MAPT (0.52) ALDH1A1MAPTLOXL2KDM4EMEN1
SCHEMBL13540946 0.74 MAOB (0.49) ALDH1A1MAPTLOXL2LOXMAOB
SCHEMBL24051776 0.72 MAPT (0.55) ALDH1A1MAPTLOXL2KDM4EMEN1
SCHEMBL3890418 0.72 MAOB (0.61) ALDH1A1MAPTMAOB

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-4630406-A1 AMIDE COMPOUNDS AS ACTIVATORS OF THE POTASSIUM CHANNELS KV7.2/KV7.3 USEFUL IN THE TREATMENT OF CNS AND PNS DISORDERS ANGELINI PHARMA S.P.A. (IT) 2025-10-15 EP disclosed
WO-2024121046-A1 AMIDE COMPOUNDS AS ACTIVATORS OF THE POTASSIUM CHANNELS KV7.2/KV7.3 USEFUL IN THE TREATMENT OF CNS AND PNS DISORDERS ANGELINI PHARMA S.P.A. (IT) 2024-06-13 WO disclosed
WO-2012152983-A1 PHENYL- SULFONYL DERIVATIVES AS MEDIATORS OF TRPA1 RECEPTOR ACTIVITY FOR THE TREATMENT OF PAIN ORION CORPORATION (FI) 2012-11-15 WO disclosed