SCHEMBL17435127

SCHEMBL17435127

COc1ccc(OC)c(-c2cnc(NC(=O)Oc3snnc3C)cn2)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 2/20 0.42
▸ POLQ O75417 1/20 0.40
▸ MAPT P10636 7/20 0.39
▸ GAA P10253 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ KMT2A Q03164 8/20 0.38
▸ MEN1 O00255 6/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ TP53 P04637 2/20 0.38
▸ MITF O75030 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ IL2 P60568 1/20 0.37
▸ POLB P06746 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
SCHEMBL8260166 0.85 ALDH1A1 (0.47) ADORA3POLQMAPTGAAMAPK1
SCHEMBL2787427 0.80 STIM1 (0.48) ADORA3MAPTGAAMAPK1ALDH1A1
SCHEMBL15395975 0.77 LMNA (0.43) MAPTGAAALDH1A1KDM4EKMT2A
SCHEMBL17435137 0.75 AGPAT2 (0.41) MAPTGAAKDM4EKMT2AMEN1
SCHEMBL17435144 0.74 IL2 (0.38) IL2
SCHEMBL17435134 0.74 IL2 (0.40) MAPTIL2
SCHEMBL17435143 0.73 IL2 (0.39) IL2
SCHEMBL17435124 0.73 IL2 (0.38) IL2
SCHEMBL17435138 0.73 IL2 (0.39) IL2
SCHEMBL17435133 0.73 IL2 (0.40) IL2

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
EP-1848435-B1 COMPOUNDS AGAINST INFLAMMATIONS AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2016-01-20 — — EP claimed
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