SCHEMBL6702303

SCHEMBL6702303

CCOC(=O)C(C)n1c(C(=O)NC(N)=S)cc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
F10 P00742 2/20 0.41
NOD2 Q9HC29 6/20 0.40
NOD1 Q9Y239 6/20 0.40
CNR2 P34972 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP3 P42574 1/20 0.36

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
SCHEMBL6701629 0.81 MCL1 (0.50) TSHRF10NOD2NOD1MEN1
SCHEMBL6702307 0.77 KDM4E (0.47) TSHRF10NOD2NOD1CNR2
SCHEMBL20037197 0.77 MEN1 (0.45) TSHRNOD2NOD1MEN1KMT2A
SCHEMBL7086344 0.74 CNR2 (0.42) TSHRF10NOD2NOD1CNR2
SCHEMBL7684555 0.71 MCL1 (0.53) TSHRCNR2MEN1KMT2AALDH1A1
SCHEMBL5794123 0.71 NOD2 (0.57) TSHRF10NOD2NOD1MEN1
SCHEMBL29463237 0.71 NOD2 (0.57) TSHRF10NOD2NOD1MEN1
SCHEMBL19362902 0.68 KMT2A (0.46) TSHRCNR2MEN1KMT2AKDM4E
SCHEMBL7682416 0.67 F10 (0.44) F10NOD2NOD1CNR2MEN1
SCHEMBL3651263 0.66 NOD2 (0.65) TSHRF10NOD2NOD1MEN1

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