SCHEMBL5372832

SCHEMBL5372832

COc1ccc(Nc2nc(C(=O)O)cs2)cc1OCC=C(C)C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 7/20 0.46
ALDH1A1 P00352 2/20 0.46
CSNK2A1 P68400 1/20 0.45
HPGDS O60760 1/20 0.44
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
PTGES O14684 1/20 0.43
KDM1A O60341 4/20 0.43
ALOX5 P09917 1/20 0.43
PDE4B Q07343 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL3034542 0.88 LMNA (0.56) L3MBTL1
SCHEMBL3038140 0.85 SMN1; SMN2 (0.47) ALDH1A1PRMT5WDR77PTGESALOX5
SCHEMBL3045445 0.83 ALOX5 (0.44) ALDH1A1PTGESALOX5PDE4B
SCHEMBL5032528 0.79 KDM1A (0.51) AMY1AALDH1A1CSNK2A1HPGDSPRMT5
SCHEMBL3047822 0.79 ANO1 (0.49) ALDH1A1L3MBTL1
SCHEMBL3051288 0.78 ALDH1A1 (0.49) ALDH1A1PTGESPDE4BL3MBTL1
SCHEMBL5035870 0.73 LMNA (0.71) L3MBTL1
SCHEMBL525597 0.73 CSNK2A1 (0.65) AMY1ACSNK2A1ALOX5L3MBTL1
SCHEMBL2324801 0.73 PSEN1 (0.63)
SCHEMBL4915995 0.72 MEN1 (0.58) ALDH1A1CSNK2A1ALOX5

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-2007038387-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OF VIRUSES AND CANCER YALE UNIVERSITY (US) 2007-04-05 WO disclosed