SCHEMBL8350048

SCHEMBL8350048

CCOC(=O)Cc1csc(NC(=O)CN2CCN(c3cccc(Br)c3)CC2)n1

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ KMT2A Q03164 4/20 0.54
▸ MAPT P10636 4/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ GAA P10253 3/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ TSHR P16473 2/20 0.53
▸ HTT P42858 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ POLB P06746 2/20 0.52
▸ ESR2 Q92731 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ LMNA P02545 1/20 0.52

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
SCHEMBL8353674 0.90 MAPT (0.61) SMN1; SMN2KDM4EKMT2AMAPTMEN1
SCHEMBL8351239 0.90 MAPK1 (0.63) SMN1; SMN2MAPK1KMT2AMAPTMEN1
SCHEMBL8353740 0.90 ALDH1A1 (0.53) SMN1; SMN2KMT2AMAPTMEN1GAA
SCHEMBL8350094 0.89 POLB (0.59) KMT2AMAPTMEN1GAAALDH1A1
Acetic Acid SCHEMBL8508080 0.88 MAPT (0.59) SMN1; SMN2KMT2AMAPTMEN1GAA
SCHEMBL8357900 0.87 MAPT (0.55) KDM4EMAPK1KMT2AMAPTMEN1
SCHEMBL8350476 0.87 ALDH1A1 (0.63) MAPK1KMT2AMAPTMEN1GAA
SCHEMBL8358497 0.85 GAA (0.56) SMN1; SMN2MAPK1KMT2AMAPTMEN1
SCHEMBL8350533 0.82 POLB (0.57) SMN1; SMN2KMT2AMAPTMEN1GAA
SCHEMBL8351254 0.82 GAA (0.53) SMN1; SMN2MAPK1KMT2AMAPTMEN1

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
WO-1999031096-A1 PIPERAZINE DERIVATIVES USEFUL AS HYPOGLYCEMIC AGENTS SHAMAN PHARMACEUTICALS, INC. (US) 1999-06-24 — — WO claimed
WO-1999031096-A1 PIPERAZINE DERIVATIVES USEFUL AS HYPOGLYCEMIC AGENTS SHAMAN PHARMACEUTICALS, INC. (US) 1999-06-24 — — WO disclosed
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