SCHEMBL8351239

SCHEMBL8351239

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

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.63
▸ MAPT P10636 3/20 0.62
▸ TP53 P04637 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ USP2 O75604 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ TSHR P16473 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ DRD4 P21917 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.55
▸ KMT2A Q03164 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ GFER P55789 1/20 0.54

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) MAPTTDP1SMN1; SMN2LMNATSHR
SCHEMBL8353740 0.90 ALDH1A1 (0.53) MAPTTDP1SMN1; SMN2LMNATSHR
SCHEMBL8350048 0.90 SMN1; SMN2 (0.59) MAPK1MAPTTDP1SMN1; SMN2LMNA
SCHEMBL8350094 0.89 POLB (0.59) MAPTTP53LMNATSHRALDH1A1
SCHEMBL8350476 0.89 ALDH1A1 (0.63) MAPK1MAPTTP53TDP1LMNA
Acetic Acid SCHEMBL8508080 0.88 MAPT (0.59) MAPTTDP1SMN1; SMN2LMNATSHR
SCHEMBL8357900 0.87 MAPT (0.55) MAPK1MAPTTDP1LMNATSHR
SCHEMBL8354260 0.86 TP53 (0.54) MAPK1MAPTTP53TDP1USP2
SCHEMBL8358497 0.85 GAA (0.56) MAPK1MAPTSMN1; SMN2LMNATSHR
SCHEMBL8350533 0.82 POLB (0.57) MAPTSMN1; SMN2LMNATSHRALDH1A1

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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