SCHEMBL5223938

SCHEMBL5223938

CCCC(NC=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
EPHX1 P07099 1/20 0.43
AOC3 Q16853 2/20 0.42
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
TACR3 P29371 1/20 0.39
TACR1 P25103 1/20 0.38
USP9X Q93008 3/20 0.38
UCHL1 P09936 1/20 0.38
USP5 P45974 1/20 0.38
RPS6KB1 P23443 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL5225390 0.89 POLB (0.45) MEN1KMT2ATAAR1EPHX1TACR3
SCHEMBL5223140 0.85 MEN1 (0.47) MEN1KMT2ATAAR1EPHX1MAPT
SCHEMBL13317650 0.85 MEN1 (0.47) MEN1KMT2ATAAR1EPHX1MAPT
SCHEMBL24932829 0.81 ALDH1A1 (0.47) AOC3MAPTHTTTACR3USP9X
SCHEMBL4321791 0.80 EPHX1 (0.50) MEN1KMT2ATAAR1EPHX1HTT
SCHEMBL22084100 0.80 SLC6A2 (0.38) MEN1KMT2ATAAR1EPHX1
SCHEMBL11638197 0.78 AOC3 (0.48) MEN1KMT2AAOC3MAPTHTT
SCHEMBL7618373 0.78 ALDH1A1 (0.53) MEN1KMT2ATAAR1EPHX1AOC3
SCHEMBL27883362 0.77 KMT2A (0.45) MEN1KMT2ATAAR1TACR1ALDH1A1
SCHEMBL12572468 0.77 RIPK1 (0.46) MEN1KMT2ATAAR1EPHX1RPS6KB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4309653-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS Exithera Pharmaceuticals Inc. (US) 2024-01-24 EP disclosed
EP-1355887-B1 PYRIMIDINE ACYCLONUCLEOSIDE DERIVATIVES, PREPARATION METHOD AND USE THEREOF UNIV GENEVE (CH) 2007-08-15 EP disclosed
US-6911450-B1 Pyrimidine acyclonucleoside derivatives, preparation method and use thereof UNIVERSITE DE GENEVE (CH) 2005-06-28 US disclosed
EP-1355887-A1 PYRIMIDINE ACYCLONUCLEOSIDE DERIVATIVES, PREPARATION METHOD AND USE THEREOF UNIVERSITE DE GENEVE (CH) 2003-10-29 EP disclosed
WO-2002060880-A1 PYRIMIDINE ACYCLONUCLEOSIDE DERIVATIVES, PREPARATION METHOD AND USE THEREOF UNIVERSITE DE GENEVE (CH) 2002-08-08 WO disclosed