SCHEMBL27259403

SCHEMBL27259403

Brc1cccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
MAPK1 P28482 1/20 0.46
GABRA1 P14867 2/20 0.45
GABRG2 P18507 2/20 0.45
GABRB3 P28472 2/20 0.45
GABRA5 P31644 2/20 0.45
GABRA3 P34903 2/20 0.45
BIRC5 O15392 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 2/20 0.42
CYP1A2 P05177 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL9971971 1.00 ALDH1A1 (0.46) ALDH1A1MAPK1GABRA1GABRG2GABRB3
SCHEMBL16282342 0.98 ALDH1A1 (0.48) ALDH1A1MAPK1GABRA1GABRG2GABRB3
SCHEMBL16383449 0.96 ALDH1A1 (0.43) ALDH1A1MAPK1GABRA1GABRG2GABRB3
SCHEMBL16716775 0.92 ALDH1A1 (0.46) ALDH1A1MAPK1GABRA1GABRG2GABRB3
SCHEMBL22818518 0.92 ALDH1A1 (0.46) ALDH1A1MAPK1GABRA1GABRG2GABRB3
SCHEMBL24678777 0.92 ALDH1A1 (0.46) ALDH1A1MAPK1GABRA1GABRG2GABRB3
SCHEMBL30608530 0.92 ALDH1A1 (0.46) ALDH1A1MAPK1GABRA1GABRG2GABRB3
SCHEMBL15555233 0.92 ALDH1A1 (0.46) ALDH1A1MAPK1GABRA1GABRG2GABRB3
SCHEMBL17878504 0.92 GABRG2 (0.45) ALDH1A1MAPK1GABRA1GABRG2GABRB3
SCHEMBL31602212 0.91 ALDH1A1 (0.45) ALDH1A1MAPK1GABRA1GABRG2GABRB3

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-2024071807-A1 ORGANIC LIGHT-EMITTING DISPLAY APPARATUS COMPRISING LIGHT-EMITTING AND LIGHT-TRANSMITTING AREAS 덕산네오룩스 주식회사 2024-04-04 WO disclosed