SCHEMBL3051670

SCHEMBL3051670

C=CC(=O)CC(c1ccc(C#N)cc1)N1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.48
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
THRB P10828 3/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
PRCP P42785 1/20 0.37
LMNA P02545 2/20 0.36
GRM5 P41594 1/20 0.36
TP53 P04637 2/20 0.36

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
SCHEMBL11293575 0.85 ALDH1A1 (0.46) P2RX7GAATHRBALDH1A1SMN1; SMN2
SCHEMBL3051654 0.84 P2RX7 (0.50) P2RX7MAPTTHRBLMNATP53
Hydrochloric Acid SCHEMBL11299080 0.84 ALDH1A1 (0.45) P2RX7GAATHRBALDH1A1SMN1; SMN2
SCHEMBL11297451 0.81 ALDH1A1 (0.46) P2RX7MAPTTHRBHTTALDH1A1
Hydrochloric Acid SCHEMBL11294182 0.80 ALDH1A1 (0.45) P2RX7MAPTTHRBHTTALDH1A1
Hydrochloric Acid SCHEMBL27699724 0.79 HRH2 (0.46) KMT2AKDM4EMAPTGAAL3MBTL1
SCHEMBL3047241 0.78 SLC6A2 (0.55) P2RX7KMT2AL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL3040850 0.72 DPP4 (0.46) P2RX7LMNA
SCHEMBL3260671 0.72 LMNA (0.44) KMT2AALDH1A1LMNA
Hydrochloric Acid SCHEMBL11295525 0.71 LMNA (0.44) KMT2AALDH1A1LMNA

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
WO-2010068794-A2 HIF INHIBITORS AND USE THEREOF THE GENERAL HOSPITAL CORPORATION (US) 2010-06-17 WO disclosed