SCHEMBL29200534

SCHEMBL29200534

CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc3ccccc3c2)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.70
PTPN1 P18031 1/20 0.70
PTPN6 P29350 1/20 0.70
NPC1 O15118 2/20 0.67
RAB9A P51151 2/20 0.67
ABL1 P00519 1/20 0.61
RIN1 Q13671 1/20 0.61
EPHX2 P34913 1/20 0.57
MGLL Q99685 1/20 0.53
STS P08842 5/20 0.53
ALDH1A1 P00352 2/20 0.52
GPR119 Q8TDV5 1/20 0.52
NAMPT P43490 1/20 0.52
MAPT P10636 2/20 0.51
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KMT2A Q03164 1/20 0.50
ACHE P22303 1/20 0.50

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
SCHEMBL6313737 0.85 EPHX2 (0.68) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL3557554 0.85 PTPN2 (0.81) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL27008592 0.85 PTPN2 (0.62) PTPN2PTPN1PTPN6NPC1RAB9A
Hydrochloric Acid SCHEMBL28768913 0.84 PTPN2 (0.79) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL889067 0.84 PTPN2 (0.60) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL28898378 0.83 PTPN1 (0.90) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL13676224 0.82 PTPN2 (0.68) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL1946598 0.82 PTPN2 (0.72) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL3050576 0.82 PTPN2 (0.65) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL3046664 0.82 PTPN2 (0.65) PTPN2PTPN1PTPN6NPC1RAB9A

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
CN-117658992-A Benzimidazole compound, preparation method and pharmaceutical application thereof 中国医学科学院药物研究所 2024-03-08 CN disclosed