SCHEMBL3900138

SCHEMBL3900138

COc1c(N)ccc2c1C(=O)c1cscc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.41
▸ RAB9A P51151 5/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ THRB P10828 4/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ POLB P06746 3/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ ADORA2A P29274 3/20 0.41
▸ FGB P02675 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ NCOA2 Q15596 1/20 0.41
▸ NCOA1 Q15788 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ TDP1 Q9NUW8 3/20 0.37
▸ BLM P54132 2/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ RECQL P46063 1/20 0.37

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
SCHEMBL3897401 0.78 ALDH1A1 (0.40) MAPTRAB9AALDH1A1THRBMEN1
SCHEMBL3904558 0.77 RAB9A (0.44) MAPTRAB9AALDH1A1THRBMEN1
SCHEMBL3898403 0.75 MEN1 (0.69) MAPTRAB9AALDH1A1THRBMEN1
SCHEMBL3909101 0.74 MAPT (0.64) MAPTRAB9AALDH1A1THRBMEN1
SCHEMBL3899297 0.71 ALDH1A1 (0.59) MAPTRAB9AALDH1A1THRBMEN1
SCHEMBL3902023 0.71 ALDH1A1 (0.45) MAPTRAB9AALDH1A1THRBMEN1
SCHEMBL9354456 0.71 FFAR4 (0.38) MAPTRAB9AALDH1A1THRBMEN1
SCHEMBL3902705 0.70 ADORA2A (0.60) MAPTRAB9AALDH1A1THRBMEN1
SCHEMBL3898322 0.69 ADORA2A (0.48) MAPTRAB9AALDH1A1THRBMEN1
SCHEMBL3903706 0.69 ALDH1A1 (0.37) MAPTRAB9AALDH1A1THRBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1383463-A4 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE KING PHARMACEUTICALS INC (US) 2009-03-25 — — EP claimed
EP-1383463-A2 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE King Pharmaceuticals, Inc. (US) 2004-01-28 — — EP claimed
WO-2002083083-A2 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE KING PHARMACEUTICALS, INC. (US) 2002-10-24 — — WO claimed
EP-1383463-A4 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE KING PHARMACEUTICALS INC (US) 2009-03-25 — — EP disclosed
EP-1383463-A2 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE King Pharmaceuticals, Inc. (US) 2004-01-28 — — EP disclosed
WO-2002083083-A2 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE KING PHARMACEUTICALS, INC. (US) 2002-10-24 — — WO disclosed
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