SCHEMBL8354500

SCHEMBL8354500

COC(=O)c1nnc(NC(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)s1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.61
▸ ALDH1A1 P00352 6/20 0.61
▸ LMNA P02545 5/20 0.61
▸ KDM4E B2RXH2 5/20 0.61
▸ POLB P06746 3/20 0.60
▸ TSHR P16473 4/20 0.57
▸ HTT P42858 3/20 0.57
▸ USP2 O75604 3/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ MAPK1 P28482 2/20 0.54
▸ HPGD P15428 2/20 0.52
▸ GAA P10253 2/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ KDM4C Q9H3R0 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL8352629 0.86 MAPT (0.59) MAPTALDH1A1LMNAKDM4EPOLB
SCHEMBL8356301 0.84 MAPT (0.57) MAPTALDH1A1LMNAKDM4EPOLB
SCHEMBL8356307 0.83 MAPT (0.55) MAPTALDH1A1LMNAKDM4EPOLB
SCHEMBL8350283 0.83 MAPT (0.62) MAPTALDH1A1LMNAKDM4EPOLB
SCHEMBL8353724 0.82 ALDH1A1 (0.56) MAPTALDH1A1LMNAKDM4EPOLB
SCHEMBL8355068 0.81 LMNA (0.60) MAPTALDH1A1LMNAKDM4EPOLB
SCHEMBL8351096 0.80 MAPT (0.66) MAPTALDH1A1LMNAKDM4EPOLB
SCHEMBL8530153 0.80 MEN1 (0.63) MAPTALDH1A1LMNAKDM4EPOLB
SCHEMBL8354074 0.79 MAPT (0.68) MAPTALDH1A1LMNAKDM4EPOLB
SCHEMBL11261037 0.79 MAPT (0.64) MAPTALDH1A1LMNAKDM4EPOLB

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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