SCHEMBL6702307

SCHEMBL6702307

CCOC(=O)CCn1c(C(=O)NC(N)=S)cc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CNR2 P34972 9/20 0.46
F10 P00742 2/20 0.44
NOD2 Q9HC29 1/20 0.44
NOD1 Q9Y239 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
CREBBP Q92793 1/20 0.40
CXCR3 P49682 1/20 0.40

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
SCHEMBL6701625 0.81 ALDH1A1 (0.59) KDM4ECRHBPCRHR2SMN1; SMN2CNR2
SCHEMBL15622413 0.81 KDM4E (0.68) KDM4ECRHBPCRHR2SMN1; SMN2CNR2
SCHEMBL11006782 0.77 TP53 (0.58) KDM4ECRHBPCRHR2SMN1; SMN2MEN1
SCHEMBL6702303 0.77 TSHR (0.41) KDM4ECRHBPCRHR2SMN1; SMN2CNR2
SCHEMBL7086344 0.76 CNR2 (0.42) KDM4ECRHBPCRHR2SMN1; SMN2CNR2
SCHEMBL8693185 0.75 MCL1 (0.58) KDM4ECRHBPCRHR2SMN1; SMN2CNR2
SCHEMBL8691611 0.74 MCL1 (0.57) KDM4ECRHBPCRHR2SMN1; SMN2CNR2
SCHEMBL8653460 0.74 KDM4E (0.64) KDM4ECRHBPCRHR2SMN1; SMN2CNR2
SCHEMBL7686010 0.73 MCL1 (0.56) KDM4ECRHBPCRHR2SMN1; SMN2CNR2
SCHEMBL3554973 0.71 HDAC1 (0.60) SMN1; SMN2MEN1KMT2AMTNR1AMTNR1B

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
US-20040198793-A1 Chemical process and new intermediates SANOFI-SYNTHELABO (FR) 2004-10-07 US disclosed
EP-1345897-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2003-09-24 EP disclosed
WO-2002044150-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2002-06-06 WO disclosed