SCHEMBL8358213

SCHEMBL8358213

O=C(CN1CCN(c2ccccn2)CC1)Nc1nnc(C(F)(F)F)s1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.74
▸ LMNA P02545 5/20 0.70
▸ L3MBTL1 Q9Y468 2/20 0.68
▸ PKM P14618 1/20 0.68
▸ MEN1 O00255 3/20 0.64
▸ KMT2A Q03164 3/20 0.64
▸ SMN1; SMN2 Q16637 2/20 0.64
▸ HBB P68871 1/20 0.64
▸ ALDH1A1 P00352 6/20 0.62
▸ HSD17B10 Q99714 1/20 0.62
▸ THRB P10828 1/20 0.61
▸ NPSR1 Q6W5P4 1/20 0.61
▸ SLC27A1 Q6PCB7 1/20 0.60
▸ POLB P06746 1/20 0.60
▸ MAPT P10636 2/20 0.59
▸ TSHR P16473 2/20 0.59
▸ GAA P10253 1/20 0.59
▸ HTT P42858 1/20 0.57
▸ DRD2 P14416 2/20 0.57
▸ DRD4 P21917 2/20 0.57

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
SCHEMBL8350364 0.87 LMNA (0.69) KDM4ELMNAL3MBTL1PKMMEN1
SCHEMBL8353646 0.79 MEN1 (0.63) KDM4ELMNAL3MBTL1MEN1KMT2A
SCHEMBL4004192 0.79 MAPK1 (0.80) KDM4ELMNAL3MBTL1MEN1KMT2A
SCHEMBL4003222 0.79 ALDH1A1 (0.79) KDM4ELMNAL3MBTL1MEN1KMT2A
SCHEMBL8358063 0.79 THRB (0.66) KDM4ELMNAMEN1KMT2ASMN1; SMN2
SCHEMBL8353727 0.78 ALDH1A1 (0.62) KDM4ELMNAL3MBTL1MEN1KMT2A
SCHEMBL4010416 0.78 POLB (0.84) KDM4ELMNAMEN1KMT2ASMN1; SMN2
SCHEMBL8354273 0.77 USP2 (0.69) LMNAL3MBTL1PKMMEN1KMT2A
SCHEMBL4008925 0.77 THRB (1.00) KDM4ELMNAL3MBTL1MEN1KMT2A
SCHEMBL4005423 0.76 ALDH1A1 (1.00) KDM4ELMNAL3MBTL1MEN1KMT2A

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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