SCHEMBL8354273

SCHEMBL8354273

COc1ccc(N2CCN(CC(=O)Nc3nnc(C(F)(F)F)s3)CC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 2/20 0.69
▸ KMT2A Q03164 3/20 0.64
▸ LMNA P02545 4/20 0.63
▸ L3MBTL1 Q9Y468 2/20 0.61
▸ PKM P14618 1/20 0.61
▸ MEN1 O00255 1/20 0.59
▸ GFER P55789 1/20 0.58
▸ HTT P42858 3/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ NPC1 O15118 1/20 0.57
▸ TP53 P04637 1/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ MAPT P10636 3/20 0.57
▸ TSHR P16473 2/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ REV1 Q9UBZ9 1/20 0.55

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
SCHEMBL8357277 0.82 USP2 (0.69) USP2KMT2ALMNAL3MBTL1MEN1
SCHEMBL8350090 0.80 USP2 (0.67) USP2KMT2ALMNAL3MBTL1MEN1
SCHEMBL8350364 0.78 LMNA (0.69) USP2KMT2ALMNAL3MBTL1PKM
SCHEMBL8357279 0.77 ALDH1A1 (0.69) USP2KMT2ALMNASMN1; SMN2TSHR
SCHEMBL8358213 0.77 KDM4E (0.74) KMT2ALMNAL3MBTL1PKMMEN1
SCHEMBL8350371 0.75 SLC27A1 (0.68) KMT2ALMNAMEN1ALDH1A1
SCHEMBL15401066 0.73 KDR (0.74) USP2KMT2ALMNAHTTSMN1; SMN2
SCHEMBL8809227 0.72 MEN1 (0.65) KMT2ALMNAL3MBTL1MEN1GFER
SCHEMBL977214 0.72 LMNA (0.68) USP2KMT2ALMNAL3MBTL1MEN1
SCHEMBL6372797 0.72 RAB9A (0.79) KMT2ALMNAMEN1HTTSMN1; SMN2

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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