SCHEMBL28906607

SCHEMBL28906607

Cc1cc(Br)ccc1N1c2ccccc2Oc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 3/20 0.47
▸ MAPT P10636 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ HBB P68871 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ TSHR P16473 1/20 0.40
▸ CASP3 P42574 1/20 0.37
▸ P2RX4 Q99571 6/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ ATM Q13315 1/20 0.34
▸ PDE4B Q07343 2/20 0.34
▸ HCAR1 Q9BXC0 1/20 0.34
▸ MGLL Q99685 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 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
SCHEMBL13023294 0.83 P2RX4 (0.45) MAPTP2RX4SMN1; SMN2NPSR1
SCHEMBL18544906 0.80 MAPT (0.43) AHRMAPTMEN1ALOX15ALOX12
SCHEMBL19038786 0.79 AHR (0.50) AHRMAPTP2RX4SMN1; SMN2NPSR1
SCHEMBL13125131 0.78 AHR (0.46) AHRMAPTP2RX4SMN1; SMN2NPSR1
SCHEMBL15489935 0.78 AHR (0.53) AHRMAPTP2RX4SMN1; SMN2NPSR1
SCHEMBL20208795 0.77 AHR (0.52) AHRMAPTP2RX4SMN1; SMN2NPSR1
SCHEMBL13022496 0.77 P2RX4 (0.43) MAPTMEN1KMT2AP2RX4SMN1; SMN2
SCHEMBL15470432 0.77 AHR (0.52) AHRMAPTP2RX4SMN1; SMN2NPSR1
SCHEMBL18361134 0.76 P2RX4 (0.36) CASP3P2RX4MGLL
SCHEMBL19417312 0.76 AHR (0.55) AHRMAPTALOX15HSD17B10P2RX4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115304633-B Heavy atom-free photodynamic photosensitizer and preparation method and application thereof 山西大学 2023-12-26 — — CN claimed
CN-115304633-A Heavy atom-free photodynamic photosensitizer and preparation method and application thereof 山西大学 2022-11-08 — — CN claimed
CN-115304633-B Heavy atom-free photodynamic photosensitizer and preparation method and application thereof 山西大学 2023-12-26 — — CN disclosed
CN-115304633-A Heavy atom-free photodynamic photosensitizer and preparation method and application thereof 山西大学 2022-11-08 — — CN disclosed
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