SCHEMBL9732171

SCHEMBL9732171

CC(=O)OCCc1nc2nccnc2c(=O)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE3B Q13370 3/20 0.36
PDE3A Q14432 3/20 0.36
P2RY12 Q9H244 3/20 0.36
HCAR2 Q8TDS4 10/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 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
SCHEMBL9191955 0.88 HCAR2 (0.45) MEN1TSHRKMT2APDE3BPDE3A
SCHEMBL3817859 0.75 TNKS2 (0.44) HCAR2L3MBTL1
SCHEMBL9194026 0.69 HCAR2 (0.44) HCAR2GAA
SCHEMBL9190090 0.69 KDM4E (0.40) MEN1TSHRKMT2AKDM4EGAA
SCHEMBL29123832 0.67 KDM4E (0.68) MEN1TSHRKMT2AKDM4EGAA
SCHEMBL9191397 0.67 ALDH1A1 (0.39) TSHRHCAR2HTTKDM4EGAA
SCHEMBL9287657 0.65 HCAR2 (0.47) HCAR2HTTL3MBTL1
SCHEMBL9189988 0.65 HCAR2 (0.56) TSHRHCAR2
Acetic Acid SCHEMBL29043334 0.65 GAA (0.47) KDM4EGAA
SCHEMBL7078925 0.65 MAPT (0.63) HTTKDM4E

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-5167949-A Antiallergic LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1992-12-01 US disclosed