SCHEMBL30493286

SCHEMBL30493286

O=C1c2cccc(NCCOCCOCCO)c2CN1C1CCCNC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 4/20 0.44
▸ PARP1 P09874 2/20 0.41
▸ MAP1LC3B Q9GZQ8 3/20 0.40
▸ HTR2B P41595 7/20 0.38
▸ HTR2C P28335 6/20 0.38
▸ HTR2A P28223 5/20 0.38
▸ HTR3E A5X5Y0 1/20 0.38
▸ HTR3B O95264 1/20 0.38
▸ HTR3A P46098 1/20 0.38
▸ TMEM97 Q5BJF2 1/20 0.38
▸ HTR3D Q70Z44 1/20 0.38
▸ HTR3C Q8WXA8 1/20 0.38
▸ MAPT P10636 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CDK4 P11802 1/20 0.34
▸ MAPK1 P28482 1/20 0.33
▸ DYRK2 Q92630 1/20 0.32

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
SCHEMBL28650618 0.86 STAT3 (0.39) STAT3PARP1MAP1LC3BHTR2BHTR2C
SCHEMBL30069969 0.84 PARP1 (0.43) STAT3PARP1MAP1LC3BHTR2BHTR2C
SCHEMBL28692317 0.80 HTR2B (0.41) PARP1MAP1LC3BHTR2BHTR2CHTR2A
SCHEMBL29414342 0.80 HTR2B (0.41) PARP1MAP1LC3BHTR2BHTR2CHTR2A
SCHEMBL19305499 0.78 PARP1 (0.37) STAT3PARP1HTR2BHTR2CHTR2A
SCHEMBL25226137 0.78 STAT3 (0.67) STAT3MAP1LC3B
SCHEMBL30462421 0.78 STAT3 (0.67) STAT3MAP1LC3B
SCHEMBL30493238 0.78 STAT3 (0.67) STAT3MAP1LC3B
SCHEMBL25431129 0.78 STAT3 (0.67) STAT3MAP1LC3B
SCHEMBL19451277 0.78 STAT3 (0.67) STAT3MAP1LC3B

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
EP-4466260-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER Astrazeneca AB (SE) 2024-11-27 — — EP disclosed
WO-2023139199-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2023-07-27 — — WO disclosed
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