SCHEMBL23486254

SCHEMBL23486254

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.37
HSD17B10 Q99714 3/20 0.37
TSHR P16473 2/20 0.37
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
MAPT P10636 6/20 0.35
GAA P10253 5/20 0.35
TP53 P04637 1/20 0.34
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
ALDH1A1 P00352 5/20 0.33
F2 P00734 3/20 0.33
KDM4E B2RXH2 3/20 0.33
CASP1 P29466 2/20 0.33
CASP7 P55210 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 2/20 0.33
KLKB1 P03952 1/20 0.33

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 SCHEMBL23458460 0.99 HPGD (0.36) HPGDHSD17B10TSHRCCNCCDK8
Hydrochloric Acid SCHEMBL23458449 0.87 NAMPT (0.33) HPGDHSD17B10CCNCCDK8MAPT
SCHEMBL23458446 0.86 AHR (0.32) HPGDMAPTF2KMT2ANAMPT
SCHEMBL23458586 0.81 BRD4 (0.36) MAPTALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL23486268 0.81 MAPT (0.34) HSD17B10CDK8MAPTALDH1A1F2
Bromide SCHEMBL23458486 0.81 BRD4 (0.36) ALDH1A1KDM4EMEN1KMT2ADCTPP1
SCHEMBL23486108 0.80 ALDH1A1 (0.31) ALDH1A1
SCHEMBL23458471 0.75 AHR (0.32)
SCHEMBL23458573 0.71 DYRK1A (0.45) MAPTCYP19A1CYP11B2ALDH1A1MEN1
SCHEMBL11242321 0.71 ALDH1A1 (0.48) HPGDHSD17B10TSHRMAPTTP53

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