SCHEMBL6933554

SCHEMBL6933554

CCOC(=O)c1sc2nc(SC)nc(-c3cccc(OCCC(S)C(=O)OCC)c3)c2c1N

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LHCGR P22888 8/20 0.59
TSHR P16473 2/20 0.54
KDM4E B2RXH2 7/20 0.47
MAPT P10636 6/20 0.47
ALDH1A1 P00352 3/20 0.47
GAA P10253 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAPK1 P28482 1/20 0.47
HPGD P15428 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GLA P06280 2/20 0.43
CASP7 P55210 2/20 0.43
CASP1 P29466 1/20 0.43
ATM Q13315 1/20 0.43
HSD17B10 Q99714 1/20 0.43
FSHR P23945 1/20 0.42
RCE1 Q9Y256 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
BRAF P15056 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
SCHEMBL6217536 0.89 LHCGR (0.63) LHCGRTSHRKDM4EMAPTALDH1A1
SCHEMBL6217498 0.89 LHCGR (0.62) LHCGRTSHRKDM4EMAPTALDH1A1
SCHEMBL6217036 0.88 LHCGR (0.61) LHCGRTSHRKDM4EMAPTALDH1A1
SCHEMBL6218440 0.88 LHCGR (0.61) LHCGRTSHRKDM4EMAPTALDH1A1
SCHEMBL6931327 0.87 LHCGR (0.61) LHCGRTSHRKDM4EMAPTALDH1A1
SCHEMBL4327613 0.86 LHCGR (0.77) LHCGRTSHRKDM4EMAPTALDH1A1
SCHEMBL6218002 0.85 LHCGR (0.58) LHCGRTSHRKDM4EMAPTALDH1A1
SCHEMBL6220445 0.84 LHCGR (0.65) LHCGRTSHRKDM4EMAPTALDH1A1
SCHEMBL6216201 0.83 LHCGR (0.56) LHCGRTSHRKDM4EMAPTALDH1A1
SCHEMBL4431522 0.83 LHCGR (0.62) LHCGRTSHRKDM4EMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6569863-B1 Luteinizing hormone (LH) agonists for controlling fertility AKZO NOBEL NV (NL) 2003-05-27 US disclosed