SCHEMBL11484119

SCHEMBL11484119

N#Cc1c(N2CCOCC2)cc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.48
MAPT P10636 9/20 0.45
ALDH1A1 P00352 4/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
TSHR P16473 1/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
RAB9A P51151 1/20 0.43
CTSB P07858 1/20 0.42
SLC6A5 Q9Y345 1/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL3033497 0.78 ALDH1A1 (0.59) MAPTALDH1A1CYP2C9CYP2C19CYP3A4
SCHEMBL20336352 0.78 MAPT (0.60) SLC6A9MAPTALDH1A1CYP2C9CYP2C19
SCHEMBL29937559 0.78 MAPT (0.68) SLC6A9MAPTALDH1A1CYP2C9CYP2C19
SCHEMBL3485340 0.78 MAPT (0.68) SLC6A9MAPTALDH1A1CYP2C9CYP2C19
SCHEMBL11492243 0.78 KDM4E (0.59) SLC6A9MAPTALDH1A1SMN1; SMN2TSHR
SCHEMBL5235027 0.76 ALDH1A1 (0.59) MAPTALDH1A1CYP2C9CYP2C19CYP1A2
SCHEMBL11883541 0.74 ALDH1A1 (0.51) MAPTALDH1A1CYP2C9CYP2C19CYP3A4
SCHEMBL23850714 0.74 MAPT (0.62) MAPTALDH1A1CYP2C9CYP2C19CYP1A2
SCHEMBL31588237 0.74 MAPT (0.62) MAPTALDH1A1CYP2C9CYP2C19CYP1A2
SCHEMBL2533103 0.72 SMN1; SMN2 (0.66) SLC6A9MAPTALDH1A1SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4209528-A Antisecretory oxamic acid esters AMERICAN HOME PRODUCTS CORPORATION (US) 1980-06-24 US disclosed
US-4137325-A Antisecretory oxamic acid esters AMERICAN HOME PRODUCTS CORPORATION (US) 1979-01-30 US disclosed