SCHEMBL31609288

SCHEMBL31609288

COc1cc2c(cc1Br)c1cc(Br)c(OC)cc1n2CCBr

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HTR2A P28223 8/20 0.38
TAAR1 Q96RJ0 3/20 0.38
HTR2C P28335 2/20 0.38
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
HTR2B P41595 1/20 0.34

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
SCHEMBL31744502 0.89 MEN1 (0.37) MEN1KMT2AL3MBTL1ALDH1A1HTR2A
SCHEMBL31744491 0.82 KMT2A (0.43) MEN1KMT2AL3MBTL1ALDH1A1HTR2A
SCHEMBL31609283 0.81 GAA (0.38) MEN1KMT2AALDH1A1TAAR1
SCHEMBL13656490 0.81 PSEN1 (0.45) ALDH1A1
SCHEMBL31609299 0.79 KMT2A (0.40) MEN1KMT2AL3MBTL1ALDH1A1HTR2A
SCHEMBL31609247 0.76 MAOA (0.40) ALDH1A1GRIN1GRIN2AGRIN2B
SCHEMBL31609303 0.75 ALDH1A1 (0.40) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL4254129 0.75 HTR2A (0.35) MEN1KMT2AL3MBTL1ALDH1A1HTR2A
SCHEMBL28811123 0.74 SRC (0.51) KMT2AALDH1A1HTR2ATSHR
SCHEMBL29868526 0.74 SRC (0.51) KMT2AALDH1A1HTR2ATSHR

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
US-20250185446-A1 HOLE-TRANSPORTING SELF-ORGANISED MONOLAYER FOR PEROVSKITE SOLAR CELLS HELMHOLTZ-ZENTRUM BERLIN FÜR MATERIALIEN UND ENERGIE GMBH (DE) 2025-06-05 US disclosed