Sugi Predict

Sugi Predict / Compounds / SCHEMBL24893448

SCHEMBL24893448

SCHEMBL24893448

Brc1cc(N2c3ccccc3Oc3ccccc32)c(Br)cc1N1c2ccccc2Oc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 3/20 0.42
▸ P2RX4 Q99571 12/20 0.41
▸ ALOX5 P09917 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ MGLL Q99685 1/20 0.35
▸ P2RX1 P51575 1/20 0.33
▸ P2RX3 P56373 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
SCHEMBL16604412 0.85 MGLL (0.50) AHRP2RX4ALOX5MGLLP2RX1
SCHEMBL29829444 0.85 MGLL (0.50) AHRP2RX4ALOX5MGLLP2RX1
SCHEMBL24528515 0.82 P2RX4 (0.43) AHRP2RX4
SCHEMBL19037723 0.77 AHR (0.37) AHRP2RX4ALOX5MAPTSMN1; SMN2
SCHEMBL19038786 0.77 AHR (0.50) AHRP2RX4ALOX5MAPTSMN1; SMN2
SCHEMBL28420664 0.77 HTR6 (0.44) AHRP2RX4ALOX5MGLL
SCHEMBL18875290 0.77 TDP1 (0.54) P2RX4ALOX5MAPTSMN1; SMN2NPSR1
SCHEMBL29825148 0.76 AHR (0.48) AHRP2RX4ALOX5MAPTSMN1; SMN2
SCHEMBL14482242 0.76 AHR (0.44) AHRP2RX4ALOX5MAPTSMN1; SMN2
SCHEMBL30560693 0.76 AHR (0.44) AHRP2RX4ALOX5MAPTSMN1; SMN2

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-2023284103-A1 ORGANIC COMPOUND AND APPLICATION THEREOF 清华大学 2023-01-19 — — WO disclosed
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