SCHEMBL27453068

SCHEMBL27453068

c1ccc2cc(-n3c4cc5ccccc5cc4c4c5c6cc7ccccc7cc6n(-c6ccc7ccccc7c6)c5ccc43)ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR5A P47898 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
HSP90AA1 P07900 1/20 0.41
MAPK10 P53779 6/20 0.38
MAPK9 P45984 5/20 0.38
MAPK8 P45983 1/20 0.38
ALDH1A1 P00352 4/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PMM2 O15305 1/20 0.37
MPI P34949 1/20 0.37
PHOSPHO1 Q8TCT1 1/20 0.37

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
SCHEMBL17989820 0.89 KDM4E (0.47) HTR3AHTR3EHTR3BHTR5AHTR3D
SCHEMBL23079599 0.89 HTR3A (0.47) HTR3AHTR3EHTR3BHTR5AHTR3D
SCHEMBL23079594 0.87 HSP90AA1 (0.42) HTR3AHTR3EHTR3BHTR5AHTR3D
SCHEMBL19342617 0.86 KDM4E (0.44) HTR3AHTR3EHTR3BHTR5AHTR3D
SCHEMBL23331456 0.85 ALDH1A1 (0.38) HTR3AHTR3EHTR3BHTR5AHTR3D
SCHEMBL17641765 0.85 CYP19A1 (0.38) HTR3AHTR3EHTR3BHTR5AHTR3D
SCHEMBL13828934 0.82 KDM4E (0.48) HTR3AHTR3EHTR3BHTR5AHTR3D
SCHEMBL26374627 0.81 KDM4E (0.40) HTR3AHTR3EHTR3BHTR5AHTR3D
SCHEMBL17189539 0.81 KDM4E (0.53) HTR3AHTR3EHTR3BHTR5AHTR3D
SCHEMBL17642107 0.81 L3MBTL1 (0.44) SIGMAR1ALDH1A1HPGDJAK2JAK3

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-2024143905-A1 ORGANIC ELECTRIC ELEMENT USING ORGANIC ELECTRIC ELEMENT COMPOUND, AND ELECTRONIC DEVICE 덕산네오룩스 주식회사 2024-07-04 WO disclosed