SCHEMBL5613245

SCHEMBL5613245

CCCCn1c(=O)oc(=O)c2ccsc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PGR P06401 3/20 0.37
RORA P35398 3/20 0.37
RORC P51449 3/20 0.37
RORB Q92753 3/20 0.37
ELANE P08246 1/20 0.37
ALDH1A1 P00352 7/20 0.36
POLB P06746 2/20 0.36
RXFP1 Q9HBX9 1/20 0.35
RGS4 P49798 3/20 0.35
KDM4E B2RXH2 3/20 0.34
RGS8 P57771 2/20 0.34
LMNA P02545 1/20 0.34
ALOX15 P16050 2/20 0.34
TSHR P16473 2/20 0.34
HSD17B10 Q99714 2/20 0.34
PKM P14618 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34

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
SCHEMBL2207598 0.91 ELANE (0.38) ELANEALDH1A1POLBRXFP1KDM4E
SCHEMBL2206340 0.84 ELANE (0.40) L3MBTL1ELANEALDH1A1LMNAHPGD
SCHEMBL1523092 0.81 ALDH1A1 (0.42) ELANEALDH1A1KDM4ELMNAALOX15
SCHEMBL2207892 0.78 HSD17B10 (0.39) TDP1L3MBTL1ELANEALDH1A1RGS4
SCHEMBL1522285 0.77 ALDH1A1 (0.39) TDP1L3MBTL1PGRRORARORC
SCHEMBL23412821 0.76 ELANE (0.36) ELANEADORA2B
SCHEMBL1523116 0.74 ERCC1 (0.34) ELANEADORA2BERCC1ERCC5FEN1
SCHEMBL1523762 0.73 ERCC5 (0.57) ALDH1A1ADORA2BGSK3BKMT2AERCC1
SCHEMBL1061987 0.73 PGR (0.60) TDP1L3MBTL1PGRRORARORC
SCHEMBL1522571 0.72 ALDH1A1 (0.41) ELANEALDH1A1ALOX15TSHRHSD17B10

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-1824843-A2 INHIBITORS OF PROTEIN KINASES Locus Pharmaceuticals, Inc. (US) 2007-08-29 EP disclosed
WO-2006062984-A2 INHIBITORS OF PROTEIN KINASES LOCUS PHARMACEUTICALS, INC. (US) 2006-06-15 WO disclosed