SCHEMBL25924200

SCHEMBL25924200

CC(C)(C)OC(=O)N1CCC(C(Br)CBr)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.49
▸ DPP4 P27487 2/20 0.48
▸ RECQL P46063 1/20 0.47
▸ EPHX1 P07099 1/20 0.47
▸ GPR119 Q8TDV5 6/20 0.46
▸ USP2 O75604 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ MAPT P10636 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ EED O75530 1/20 0.43
▸ RBBP4 Q09028 1/20 0.43
▸ SUZ12 Q15022 1/20 0.43
▸ EZH2 Q15910 1/20 0.43
▸ AEBP2 Q6ZN18 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43

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
SCHEMBL18226799 0.88 DPP4 (0.51) HPGDDPP4RECQLEPHX1GPR119
SCHEMBL7273992 0.87 HPGD (0.48) HPGDDPP4RECQLEPHX1GPR119
SCHEMBL25343622 0.84 HPGD (0.54) HPGDDPP4RECQLEPHX1GPR119
SCHEMBL1892198 0.83 HPGD (0.53) HPGDDPP4RECQLEPHX1GPR119
SCHEMBL5341723 0.81 HPGD (0.54) HPGDDPP4RECQLEPHX1GPR119
SCHEMBL5946873 0.80 HPGD (0.50) HPGDDPP4RECQLEPHX1GPR119
SCHEMBL25522993 0.80 HPGD (0.50) HPGDDPP4RECQLEPHX1GPR119
SCHEMBL16225010 0.80 DPP4 (0.42) HPGDDPP4RECQLEPHX1GPR119
SCHEMBL19457339 0.80 HPGD (0.53) HPGDDPP4RECQLEPHX1GPR119
SCHEMBL5947150 0.79 HPGD (0.47) HPGDDPP4RECQLEPHX1GPR119

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-2023142754-A1 EZH1/2 INHIBITOR, PREPARATION THEREOF, AND USE THEREOF IN ANTI-TUMOR THERAPY 江苏天士力帝益药业有限公司 2023-08-03 — — WO disclosed
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