SCHEMBL5540338

SCHEMBL5540338

CCOc1ccccc1C(=O)NC1=NCC2=CN(C(=O)c3cccnc3SCC)CCC2=N1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
RXFP1 Q9HBX9 3/20 0.39
MAPK1 P28482 3/20 0.38
ALOX15 P16050 2/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 3/20 0.36
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 3/20 0.36
GAA P10253 3/20 0.36
USP2 O75604 2/20 0.36
TP53 P04637 2/20 0.36
THRB P10828 1/20 0.35
POLB P06746 1/20 0.35
KCNMA1 Q12791 1/20 0.35

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
SCHEMBL5546883 0.80 KDM4E (0.40) MEN1KMT2ARXFP1MAPK1ALOX15
SCHEMBL5545010 0.80 MAPT (0.44) MEN1KMT2ARXFP1MAPK1ALOX15
SCHEMBL5540334 0.76 USP2 (0.38) MEN1KMT2ARXFP1KDM4EALDH1A1
SCHEMBL3530792 0.69 PDGFRB (0.47) MEN1KMT2A
SCHEMBL5545032 0.68 PTGES (0.39) LMNAGAATP53
SCHEMBL5546600 0.62 KMT2A (0.40) MEN1KMT2AMAPK1KDM4EALDH1A1
SCHEMBL5538007 0.61 PTGES (0.39) RXFP1LMNAGAATP53
SCHEMBL15528360 0.60 HTT (0.60) MEN1KMT2ARXFP1MAPK1ALOX15
SCHEMBL4021565 0.59 KDR (0.60) MEN1KMT2ARXFP1MAPK1ALDH1A1
SCHEMBL7442172 0.59 MEN1 (0.69) MEN1KMT2ARXFP1MAPK1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007534719-A 2007-11-29 JP claimed
EP-1742925-A1 SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS Grünenthal GmbH (DE) 2007-01-17 EP claimed
WO-2005105759-A1 SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS Grünenthal GmbH (DE) 2005-11-10 WO claimed