SCHEMBL8357900

SCHEMBL8357900

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

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ LMNA P02545 2/20 0.55
▸ POLB P06746 6/20 0.55
▸ HTR2A P28223 1/20 0.52
▸ HTR2C P28335 1/20 0.52
▸ SLC6A4 P31645 1/20 0.52
▸ MAPK1 P28482 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ HTT P42858 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ GAA P10253 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ ESR2 Q92731 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL8356273 0.94 MAPT (0.54) MAPTALDH1A1KDM4ELMNAPOLB
SCHEMBL8350635 0.93 MAPT (0.58) MAPTALDH1A1KDM4ELMNAPOLB
SCHEMBL8353638 0.92 MAPT (0.52) MAPTALDH1A1KDM4ELMNAPOLB
SCHEMBL8351254 0.92 GAA (0.53) MAPTALDH1A1LMNAPOLBMAPK1
SCHEMBL8350533 0.90 POLB (0.57) MAPTALDH1A1LMNAPOLBTSHR
SCHEMBL8358090 0.89 MAPT (0.54) MAPTALDH1A1KDM4ELMNAPOLB
SCHEMBL8354260 0.89 TP53 (0.54) MAPTALDH1A1POLBMAPK1HTT
SCHEMBL8353674 0.88 MAPT (0.61) MAPTALDH1A1KDM4ELMNAPOLB
SCHEMBL8353194 0.88 ALDH1A1 (0.61) MAPTALDH1A1KDM4ELMNAPOLB
SCHEMBL8353740 0.87 ALDH1A1 (0.53) MAPTALDH1A1LMNAPOLBTSHR

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 1 patent. 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 disclosed
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