SCHEMBL11533835

SCHEMBL11533835

CCc1cc(C#N)c(Nc2ccc(F)cc2[N+](=O)[O-])s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
ALDH3A1 P30838 1/20 0.38
MAPT P10636 5/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HTT P42858 2/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
KCNMA1 Q12791 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
ATM Q13315 1/20 0.34
KAT2B Q92831 1/20 0.34
EPAS1 Q99814 2/20 0.33

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
SCHEMBL4835505 0.91 LMNA (0.40) LMNAALDH3A1MAPTNPC1RAB9A
SCHEMBL11533565 0.86 MAPK1 (0.50) LMNAMAPTNPC1RAB9AKMT2A
SCHEMBL11528799 0.86 AKR1C3 (0.47) LMNAMAPTNPC1RAB9AKMT2A
SCHEMBL25101501 0.85 LMNA (0.47) LMNAMAPTNPC1RAB9AHTT
SCHEMBL11531797 0.85 LMNA (0.39) LMNAMAPTNPC1RAB9AHTT
SCHEMBL11528849 0.80 KMT2A (0.45) LMNAMAPTNPC1RAB9AHTT
SCHEMBL11530416 0.77 ALDH1A1 (0.50) LMNAMAPTNPC1RAB9AKMT2A
SCHEMBL4837038 0.76 ATM (0.39) LMNAALDH3A1MAPTRAB9AHTT
SCHEMBL11529600 0.76 ALDH3A1 (0.38) LMNAALDH3A1MAPTRAB9AHTT
SCHEMBL11532019 0.75 KMT2A (0.44) LMNAMAPTNPC1RAB9AHTT

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
US-4172831-A CENTRAL NERVOUS SYSTEM LILLY INDUSTRIES LIMITED (GB) 1979-10-30 US disclosed
US-4115574-A CNS ACTIVITY LILLY INDUSTRIES LIMITED (GB) 1978-09-19 US disclosed
US-4115568-A CNS ACTIVITY LILLY INDUSTRIES LIMITED (GB) 1978-09-19 US disclosed