SCHEMBL3433370

SCHEMBL3433370

CCOC(=O)Oc1cc(-c2cc(F)cc(C#N)c2)n(-c2cccc(Cl)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PGR P06401 2/20 0.41
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLC16A3 O15427 2/20 0.39
SLC16A1 P53985 2/20 0.39
RXRA P19793 3/20 0.39
RXRB P28702 3/20 0.39
RXRG P48443 3/20 0.39
LMNA P02545 1/20 0.37
CHRNA7 P36544 1/20 0.37
PPP1CA P62136 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
SCHEMBL3434266 0.93 PGR (0.39) ALDH1A1KDM4EPGRCHRNA7PTGS1
SCHEMBL3431941 0.91 ALDH1A1 (0.45) ALDH1A1KDM4EHTTMEN1MAPT
SCHEMBL3434352 0.90 RPA1 (0.39) ALDH1A1KDM4EMEN1MAPTMAPK1
SCHEMBL3434336 0.90 RXRA (0.40) ALDH1A1KDM4EHTTMEN1MAPT
SCHEMBL1110649 0.90 ALDH1A1 (0.44) ALDH1A1KDM4EHTTMEN1MAPT
SCHEMBL3431428 0.89 RXRA (0.47) ALDH1A1KDM4EHTTMEN1MAPT
SCHEMBL3428695 0.89 ALDH1A1 (0.44) ALDH1A1KDM4EHTTMEN1MAPT
SCHEMBL3434328 0.88 PGR (0.38) ALDH1A1KDM4EPGRSMN1; SMN2RXRA
SCHEMBL3434465 0.87 ALDH1A1 (0.44) ALDH1A1KDM4EHTTMEN1MAPT
SCHEMBL3434215 0.87 PGR (0.44) MEN1KMT2APGRSLC16A3SLC16A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2254885-A1 (PYRAZOLYL CARBONYL)IMIDAZOLIDINONE DERIVATIVES FOR THE TREATMENT OF RETROVIRAL DISEASES AiCuris GmbH & Co. KG (DE) 2010-12-01 EP disclosed
WO-2009115213-A1 (PYRAZOLYL CARBONYL)IMIDAZOLIDINONE DERIVATIVES FOR THE TREATMENT OF RETROVIRAL DISEASES AICURIS GMBH & CO. KG (DE) 2009-09-24 WO disclosed