SCHEMBL8350635

SCHEMBL8350635

COC(=O)Cc1csc(NC(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)n1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.58
▸ ALDH1A1 P00352 5/20 0.58
▸ LMNA P02545 4/20 0.58
▸ KDM4E B2RXH2 3/20 0.58
▸ POLB P06746 3/20 0.58
▸ KMT2A Q03164 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ MAPK1 P28482 1/20 0.51
▸ PDE5A O76074 1/20 0.51
▸ HPGD P15428 2/20 0.50
▸ GAA P10253 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.49
▸ MMP2 P08253 1/20 0.49
▸ MMP8 P22894 1/20 0.49

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
SCHEMBL8357900 0.93 MAPT (0.55) MAPTALDH1A1LMNAKDM4EPOLB
SCHEMBL8358090 0.92 MAPT (0.54) MAPTALDH1A1LMNAKDM4EPOLB
SCHEMBL8356273 0.91 MAPT (0.54) MAPTALDH1A1LMNAKDM4EPOLB
SCHEMBL8353194 0.90 ALDH1A1 (0.61) MAPTALDH1A1LMNAKDM4EPOLB
SCHEMBL8353638 0.90 MAPT (0.52) MAPTALDH1A1LMNAKDM4EPOLB
Glyoxylate SCHEMBL8513757 0.85 MAPT (0.57) MAPTALDH1A1LMNAKDM4EPOLB
SCHEMBL8358204 0.84 ALDH1A1 (0.58) MAPTALDH1A1LMNAKDM4EPOLB
SCHEMBL8351254 0.83 GAA (0.53) MAPTALDH1A1LMNAPOLBKMT2A
SCHEMBL8352629 0.83 MAPT (0.59) MAPTALDH1A1LMNAKDM4EPOLB
SCHEMBL8354260 0.83 TP53 (0.54) MAPTALDH1A1POLBMAPK1GAA

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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