SCHEMBL6217115

SCHEMBL6217115

CCOC(=O)c1sc2nc(SCc3ccc(Cl)cc3)nc(-c3ccccc3)c2c1N

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.54
▸ KDM4E B2RXH2 5/20 0.54
▸ MAPT P10636 4/20 0.54
▸ GAA P10253 2/20 0.54
▸ MAPK1 P28482 2/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ HPGD P15428 3/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ DHODH Q02127 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ HTT P42858 1/20 0.47
▸ GLA P06280 1/20 0.45
▸ CASP1 P29466 1/20 0.45
▸ CASP7 P55210 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45

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
SCHEMBL6218802 0.94 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTGAAMAPK1
SCHEMBL6216763 0.87 KDM4E (0.61) ALDH1A1KDM4EMAPTGAAMAPK1
SCHEMBL6214865 0.85 LHCGR (0.60) ALDH1A1KDM4EMAPTGAAMAPK1
SCHEMBL6217584 0.85 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTGAAMAPK1
SCHEMBL6217895 0.84 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTGAAMAPK1
SCHEMBL6215057 0.84 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTGAAMAPK1
SCHEMBL6216798 0.84 LHCGR (0.52) ALDH1A1KDM4EMAPTGAAMAPK1
SCHEMBL6216192 0.84 ALDH1A1 (0.62) ALDH1A1KDM4EMAPTGAAMAPK1
SCHEMBL6428634 0.83 MAPT (0.59) ALDH1A1KDM4EMAPTGAAMAPK1
SCHEMBL6215667 0.83 KDM4E (0.56) ALDH1A1KDM4EMAPTGAAMAPK1

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-1171443-B1 BICYCLIC HETEROAROMATIC COMPOUNDS USEFUL AS LH AGONISTS AKZO NOBEL NV (NL) 2005-07-13 — — EP disclosed
US-6569863-B1 Luteinizing hormone (LH) agonists for controlling fertility AKZO NOBEL NV (NL) 2003-05-27 — — US disclosed
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