SCHEMBL28240002

SCHEMBL28240002

O=C(c1ccccc1)C1(Br)C=CC(c2ccccc2)=CC1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32
RXRA P19793 1/20 0.32
NR2E1 Q9Y466 1/20 0.32
ALDH1A1 P00352 2/20 0.31
KMO O15229 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
DAO P14920 1/20 0.31
TSHR P16473 1/20 0.31
NAPRT Q6XQN6 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
PTPN1 P18031 2/20 0.30
GSK3B P49841 2/20 0.30
BACE1 P56817 1/20 0.30

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
SCHEMBL28444641 0.86 RARA (0.31) RARARARBRARGRXRANR2E1
SCHEMBL8486887 0.83 MAPT (0.33) RARARARBRARGRXRANR2E1
SCHEMBL29057754 0.79 ALDH1A1 (0.33) ALDH1A1NPC1RAB9AGSK3B
SCHEMBL27641916 0.79 SMN1; SMN2 (0.35) RARARARBRARGRXRANR2E1
SCHEMBL27656088 0.79 MEN1 (0.40) LMNAALDH1A1TSHR
SCHEMBL28536651 0.79 CES1 (0.32) CES1
SCHEMBL5320073 0.79 LMNA (0.36) LMNARARARARBRARGRXRA
SCHEMBL8502416 0.78 FFAR1 (0.37) LMNAALDH1A1RAB9A
Hydrogen Sulfide SCHEMBL27540779 0.78 LMNA (0.36) LMNARARARARBRARGRXRA
SCHEMBL16033820 0.75 HSD11B1 (0.33) LMNARAB9A

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-108530357-A Acridine D-A type thermal activation delayed fluorescence material, preparation method and application 中国科学院宁波材料技术与工程研究所 2018-09-14 CN disclosed