SCHEMBL6205726

SCHEMBL6205726

CNc1cccc(COC(N)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 5/20 0.45
SIRT3 Q9NTG7 4/20 0.45
SIRT1 Q96EB6 3/20 0.45
RAB9A P51151 1/20 0.43
MGLL Q99685 1/20 0.42
POLB P06746 1/20 0.42
PARP1 P09874 3/20 0.41
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
PARP2 Q9UGN5 2/20 0.40
APP P05067 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
ENPP2 Q13822 1/20 0.38

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
SCHEMBL9677464 0.82 LMNA (0.48) POLBALDH1A1LMNA
SCHEMBL27396351 0.81 ALDH1A1 (0.41) SIRT2SIRT3SIRT1RAB9AMGLL
SCHEMBL18752265 0.80 APP (0.45) RAB9AAPPALDH1A1
SCHEMBL27621158 0.79 MGLL (0.45) RAB9AMGLLENPP2
SCHEMBL28309370 0.79 SIRT2 (0.52) SIRT2RAB9AMGLLENPP2
SCHEMBL6648255 0.78 ALDH1A1 (0.43) RAB9APOLBALDH1A1LMNA
SCHEMBL7656159 0.78 IDO1 (0.59) POLBPARP1
SCHEMBL26992213 0.78 FFAR1 (0.43) RAB9APOLBALDH1A1LMNA
SCHEMBL14148255 0.78 CSNK2A1 (0.48) SIRT2SIRT3SIRT1POLBALDH1A1
SCHEMBL20109593 0.76 ENPP2 (0.52) ALDH1A1LMNANOS3NOS1NOS2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023116911-A1 ANTI-FRα ANTIBODY, AND ANTIBODY-DRUG CONJUGATE AND USE THEREOF 百奥泰生物制药股份有限公司 2023-06-29 WO disclosed
EP-1562898-A1 INDOLE DERIVATIVES AS SOMATOSTATIN AGONISTS OR ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2005-08-17 EP disclosed
WO-2004046107-A1 INDOLE DERIVATIVES AS SOMATOSTATIN AGONISTS OR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-06-03 WO disclosed