SCHEMBL8353674

SCHEMBL8353674

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

nearest known ligand 0.82

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.61
▸ SMN1; SMN2 Q16637 3/20 0.61
▸ LMNA P02545 2/20 0.61
▸ POLB P06746 3/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ HTT P42858 2/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ GAA P10253 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ ESR2 Q92731 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.52
▸ HPGD P15428 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
Acetic Acid SCHEMBL8508080 0.97 MAPT (0.59) MAPTSMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL8351239 0.90 MAPK1 (0.63) MAPTSMN1; SMN2LMNAALDH1A1TSHR
SCHEMBL8350048 0.90 SMN1; SMN2 (0.59) MAPTSMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL8353740 0.90 ALDH1A1 (0.53) MAPTSMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL8350094 0.90 POLB (0.59) MAPTLMNAPOLBALDH1A1TSHR
SCHEMBL8358497 0.90 GAA (0.56) MAPTSMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL8357900 0.88 MAPT (0.55) MAPTLMNAPOLBALDH1A1TSHR
SCHEMBL8350476 0.88 ALDH1A1 (0.63) MAPTLMNAPOLBALDH1A1TSHR
SCHEMBL8357958 0.85 MAPT (0.51) MAPTSMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL8350645 0.84 MAPT (0.52) MAPTSMN1; SMN2LMNAPOLBALDH1A1

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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