SCHEMBL19216110

SCHEMBL19216110

C/C(N)=C/N(N)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.52
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
NOS2 P35228 2/20 0.42
G6PC1 P35575 1/20 0.42
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
PRMT8 Q9NR22 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL19654872 0.86 AOC3 (0.48) AOC3ALDH1A1TSHRG6PC1CARM1
SCHEMBL25581834 0.82 AOC3 (0.46) AOC3ALDH1A1TSHRCARM1PRMT6
SCHEMBL19980450 0.81 AOC3 (0.44) AOC3ALDH1A1TSHRNPC1RAB9A
SCHEMBL12461073 0.80 AOC3 (0.44) AOC3ALDH1A1TSHRNOS2G6PC1
SCHEMBL23337476 0.79 AOC3 (0.42) AOC3ALDH1A1TSHRNPC1RAB9A
SCHEMBL22737287 0.79 AOC3 (0.42) AOC3ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL20976629 0.78 AOC3 (0.46) AOC3ALDH1A1TSHRSMN1; SMN2
SCHEMBL22862415 0.77 MEN1 (0.45) AOC3ALDH1A1TSHRG6PC1GRIN2D
SCHEMBL22048740 0.77 NPC1 (0.42) AOC3ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL23189283 0.77 AOC3 (0.44) AOC3ALDH1A1TSHRNPC1RAB9A

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-2023096928-A1 HETERO-ATOM CONTAINING COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-06-01 WO disclosed
EP-2467365-B1 RADIOIODINATION METHOD GE HEALTHCARE LTD (GB) 2017-08-09 EP disclosed