SCHEMBL2104560

SCHEMBL2104560

COCCC(NC(=O)O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.48
SLC6A4 P31645 2/20 0.48
ALDH1A1 P00352 4/20 0.46
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
RAB9A P51151 2/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41

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
SCHEMBL3714051 0.85 HTT (0.51) ALDH1A1SMN1; SMN2MAPT
SCHEMBL3714050 0.85 HTT (0.51) ALDH1A1SMN1; SMN2MAPT
SCHEMBL1953141 0.81 TAS1R3 (0.51) ALDH1A1KMT2A
SCHEMBL20544940 0.80 UTS2R (0.51)
SCHEMBL26914443 0.80 MAPT (0.47) ALDH1A1NPC1SMN1; SMN2MAPTMEN1
SCHEMBL25385229 0.80 ALDH1A1 (0.52) ALDH1A1NPC1SMN1; SMN2MEN1KMT2A
SCHEMBL11022273 0.79 ALDH1A1 (0.51) ALDH1A1NPC1SMN1; SMN2MEN1KMT2A
SCHEMBL3870433 0.78 ACHE (0.81) ACHESLC6A4ALDH1A1SMN1; SMN2MAPT
SCHEMBL3869727 0.78 ACHE (0.81) ACHESLC6A4ALDH1A1SMN1; SMN2MAPT
SCHEMBL20975454 0.77 CNR1 (0.47) ALDH1A1NPC1SMN1; SMN2MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163767-B2 Heterocyclic Janus Kinase 3 inhibitors ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed