SCHEMBL8350364

SCHEMBL8350364

O=C(CN1CCN(c2ncccn2)CC1)Nc1nnc(C(F)(F)F)s1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.69
▸ PKM P14618 1/20 0.67
▸ L3MBTL1 Q9Y468 1/20 0.67
▸ MAPK1 P28482 1/20 0.60
▸ KDM4E B2RXH2 4/20 0.56
▸ ALDH1A1 P00352 6/20 0.53
▸ TSHR P16473 3/20 0.52
▸ POLB P06746 3/20 0.52
▸ DRD2 P14416 1/20 0.50
▸ DRD4 P21917 1/20 0.50
▸ DRD3 P35462 1/20 0.50
▸ USP2 O75604 1/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ HTT P42858 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ MDM2 Q00987 1/20 0.48
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ HBB P68871 1/20 0.47

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
SCHEMBL8358213 0.87 KDM4E (0.74) LMNAPKML3MBTL1KDM4EALDH1A1
SCHEMBL8354273 0.78 USP2 (0.69) LMNAPKML3MBTL1MAPK1ALDH1A1
SCHEMBL7356339 0.70 ALDH1A1 (0.66) PKMMAPK1KDM4EALDH1A1TSHR
Hydrochloric Acid SCHEMBL1371732 0.69 ALDH1A1 (0.64) PKMKDM4EALDH1A1TSHRDRD2
SCHEMBL3488077 0.68 ALDH1A1 (0.69) PKMMAPK1KDM4EALDH1A1TSHR
SCHEMBL5904228 0.68 POLB (0.68) LMNAPKML3MBTL1TSHRPOLB
SCHEMBL8350034 0.68 POLB (0.68) LMNAPKML3MBTL1TSHRPOLB
SCHEMBL12354954 0.68 POLB (0.68) LMNAPKML3MBTL1TSHRPOLB
SCHEMBL27821654 0.68 HTT (0.52) LMNAPKML3MBTL1KDM4EALDH1A1
SCHEMBL8353613 0.68 ALDH1A1 (0.74) LMNAKDM4EALDH1A1TSHRPOLB

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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