SCHEMBL31456928

SCHEMBL31456928

Brc1ccc2c(c1)N(c1ccccc1)c1ccccc1O2

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.52
NPSR1 Q6W5P4 2/20 0.38
P2RX4 Q99571 5/20 0.37
PGR P06401 1/20 0.35
CNR1 P21554 1/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
BLM P54132 1/20 0.33
PDE4B Q07343 1/20 0.32
P2RX1 P51575 1/20 0.32
P2RX3 P56373 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL17255944 1.00 AHR (0.52) AHRNPSR1P2RX4PGRCNR1
SCHEMBL15470432 0.90 AHR (0.52) AHRNPSR1P2RX4PGRCNR1
SCHEMBL28717934 0.85 AHR (0.40) AHRNPSR1PGR
SCHEMBL26327426 0.85 AHR (0.53) AHRNPSR1P2RX4MAPTLMNA
SCHEMBL12195289 0.84 AHR (0.52) AHRNPSR1PGRCNR1
SCHEMBL15472193 0.84 AHR (0.45) AHRP2RX4CNR1
SCHEMBL29534159 0.84 AHR (0.45) AHRP2RX4CNR1
SCHEMBL29406608 0.84 P2RX4 (0.47) NPSR1P2RX4P2RX1P2RX3
SCHEMBL29379993 0.84 P2RX4 (0.47) NPSR1P2RX4P2RX1P2RX3
SCHEMBL1573992 0.84 P2RX4 (0.47) NPSR1P2RX4P2RX1P2RX3

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
CN-112110945-B Organic electroluminescent device and condensed polycyclic compound for organic electroluminescent device 三星显示有限公司 2025-02-28 CN disclosed