SCHEMBL31384458

SCHEMBL31384458

CCCCCCc1cccc(-n2c3ccccc3c3cc(Br)ccc32)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORA P35398 1/20 0.45
RORC P51449 1/20 0.45
RORB Q92753 1/20 0.45
TSPO P30536 3/20 0.43
DHFR P00374 2/20 0.40
LPL P06858 3/20 0.39
LIPG Q9Y5X9 3/20 0.39
CCKBR P32239 1/20 0.38
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL8739908 0.89 RORA (0.46) RORARORCRORBDHFRLPL
SCHEMBL14325105 0.88 RORA (0.46) RORARORCRORBTSPOTP53
SCHEMBL27921740 0.88 RORA (0.46) RORARORCRORBTSPOTP53
SCHEMBL18987170 0.83 RORA (0.39) RORARORCRORBTSPOTP53
SCHEMBL26473220 0.81 KDM4E (0.42) RORARORCRORBDHFRLPL
SCHEMBL16151832 0.81 TSPO (0.42) RORARORCRORBTSPOCYP1A2
SCHEMBL24123964 0.81 RORA (0.48) RORARORCRORBTP53MAPT
SCHEMBL15305307 0.81 MGLL (0.46) RORARORCRORBLPLLIPG
SCHEMBL29328807 0.80 HSD11B1 (0.45) RORARORCRORBTSPOMAPT
SCHEMBL19001590 0.79 RORA (0.36) RORARORCRORBTSPOMAPT

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-119504862-A Organic compound and organic electroluminescent device comprising same 广州启星光电科技有限公司 2025-02-25 CN disclosed