SCHEMBL30560693

SCHEMBL30560693

Brc1cc(Br)cc(N2c3ccccc3Oc3ccccc32)c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.44
P2RX4 Q99571 12/20 0.39
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALOX5 P09917 1/20 0.34
P2RX1 P51575 1/20 0.32
P2RX3 P56373 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
SCHEMBL14482242 1.00 AHR (0.44) AHRP2RX4MAPTSMN1; SMN2NPSR1
SCHEMBL19038806 0.91 AHR (0.40) AHRP2RX4MAPTSMN1; SMN2NPSR1
SCHEMBL28702826 0.88 AHR (0.38) AHRP2RX4MAPTSMN1; SMN2NPSR1
SCHEMBL14482499 0.87 AHR (0.37) AHRP2RX4MAPTSMN1; SMN2NPSR1
SCHEMBL14550955 0.85 MGLL (0.49) AHRP2RX4MAPT
SCHEMBL19269563 0.84 AHR (0.38) AHRP2RX4MAPTSMN1; SMN2NPSR1
SCHEMBL19317170 0.84 KMT2A (0.40)
SCHEMBL19345035 0.84 AHR (0.35) AHRP2RX4
SCHEMBL18875296 0.83 P2RX4 (0.45) P2RX4MAPTSMN1; SMN2NPSR1ALOX5
SCHEMBL29534159 0.82 AHR (0.45) AHRP2RX4ALOX5

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
CN-116715594-B Star-shaped micromolecule crosslinked hole transport material and preparation method and application thereof 天津大学 2023-12-15 CN disclosed
CN-116715594-A Star-shaped micromolecule crosslinked hole transport material and preparation method and application thereof 天津大学 2023-09-08 CN disclosed