SCHEMBL6215352

SCHEMBL6215352

CCOC(=O)CSc1nc(-c2ccncc2)c2c(N)c(C(=O)O)sc2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 6/20 0.51
▸ HIF1A Q16665 1/20 0.46
▸ TSHR P16473 2/20 0.46
▸ PTGS2 P35354 5/20 0.44
▸ GAA P10253 2/20 0.42
▸ CDC7 O00311 2/20 0.41
▸ DBF4 Q9UBU7 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ STAT1 P42224 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41

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
SCHEMBL6216167 0.92 ABCB1 (0.51) ABCB1HIF1APTGS2GAACDC7
SCHEMBL6215602 0.92 ABCB1 (0.53) ABCB1HIF1ATSHRPTGS2GAA
SCHEMBL6215057 0.85 ALDH1A1 (0.58) ABCB1HIF1APTGS2GAAKDM4E
SCHEMBL6217590 0.80 LHCGR (0.53) TSHRGAACDC7DBF4KDM4E
SCHEMBL6218455 0.77 LHCGR (0.62) ABCB1HIF1ATSHRPTGS2GAA
SCHEMBL6216763 0.76 KDM4E (0.61) GAACDC7DBF4KDM4EALDH1A1
SCHEMBL6218802 0.74 ALDH1A1 (0.58) TSHRGAACDC7DBF4KDM4E
SCHEMBL6215827 0.73 KDM4E (0.60) GAACDC7DBF4KDM4EALDH1A1
SCHEMBL27473111 0.73 MAPT (0.53) TSHRKDM4EALDH1A1MAPTNPC1
SCHEMBL6216192 0.73 ALDH1A1 (0.62) TSHRGAACDC7DBF4KDM4E

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 claimed
EP-1171443-B1 BICYCLIC HETEROAROMATIC COMPOUNDS USEFUL AS LH AGONISTS AKZO NOBEL NV (NL) 2005-07-13 — — EP disclosed
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