SCHEMBL23458586

SCHEMBL23458586

CC(C)(C)OC(=O)C[n+]1ccc(-c2nc3cnccn3n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.36
LATS1 O95835 7/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TGFBR1 P36897 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
LATS2 Q9NRM7 1/20 0.32
DCTPP1 Q9H773 1/20 0.31
NAMPT P43490 3/20 0.30
MITF O75030 1/20 0.30
MAPT P10636 1/20 0.30
NR2F2 P24468 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ATM Q13315 1/20 0.30

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
Bromide SCHEMBL23458486 0.99 BRD4 (0.36) BRD4LATS1ALDH1A1KDM4ETGFBR1
SCHEMBL23486268 0.83 MAPT (0.34) ALDH1A1KDM4ENAMPTMITFMAPT
SCHEMBL23486254 0.81 HPGD (0.37) LATS1ALDH1A1KDM4EDCTPP1NAMPT
Bromide SCHEMBL23458460 0.81 HPGD (0.36) LATS1ALDH1A1KDM4EDCTPP1NAMPT
SCHEMBL23486135 0.79 NPC1 (0.35) ALDH1A1KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL23458449 0.78 NAMPT (0.33) LATS1NAMPTMAPT
SCHEMBL23486137 0.77 KDM4E (0.33) ALDH1A1KDM4EMAPT
SCHEMBL23458446 0.77 AHR (0.32) NAMPTMAPT
SCHEMBL23486108 0.75 ALDH1A1 (0.31) ALDH1A1L3MBTL1
SCHEMBL23458471 0.73 AHR (0.32)

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-2021110890-A1 PYRIDINIUM DERIVATIVES AS HERBICIDES SYNGENTA CROP PROTECTION AG (CH) 2021-06-10 WO disclosed
WO-2021110890-A1 PYRIDINIUM DERIVATIVES AS HERBICIDES SYNGENTA CROP PROTECTION AG (CH) 2021-06-10 WO disclosed