SCHEMBL30450445

SCHEMBL30450445

Brc1ccc2c3ccc(-c4cc5cccnc5c5ncccc45)cc3c3ccccc3c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.45
CCR8 P51685 5/20 0.45
L3MBTL1 Q9Y468 4/20 0.45
ALDH1A1 P00352 2/20 0.41
HTT P42858 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 2/20 0.40
CYP11B1 P15538 1/20 0.40
PIK3CD O00329 1/20 0.38
CCR5 P51681 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HSP90AA1 P07900 3/20 0.37
KDM4E B2RXH2 2/20 0.37
TP53 P04637 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
LMNA P02545 2/20 0.37

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
SCHEMBL21518519 1.00 CCR1 (0.45) CCR1CCR8L3MBTL1ALDH1A1HTT
SCHEMBL21518525 0.89 CCR1 (0.46) CCR1CCR8L3MBTL1ALDH1A1HTT
SCHEMBL21518526 0.86 CYP11B1 (0.48) CCR1CCR8L3MBTL1ALDH1A1HTT
SCHEMBL18695352 0.85 CCR1 (0.53) CCR1CCR8L3MBTL1ALDH1A1HTT
SCHEMBL30288889 0.85 CCR1 (0.53) CCR1CCR8L3MBTL1ALDH1A1HTT
SCHEMBL17231559 0.84 L3MBTL1 (0.49) CCR1CCR8L3MBTL1ALDH1A1HTT
SCHEMBL17343935 0.84 CYP11B1 (0.49) CCR1CCR8L3MBTL1ALDH1A1HTT
SCHEMBL18695357 0.82 CCR1 (0.50) CCR1CCR8L3MBTL1ALDH1A1HTT
SCHEMBL28453678 0.81 ALDH1A1 (0.54) CCR1CCR8L3MBTL1ALDH1A1HTT
SCHEMBL24941637 0.80 CCR1 (0.47) CCR1CCR8L3MBTL1ALDH1A1HTT

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-110121794-B Organic light emitting device LT素材株式会社 2023-04-04 CN disclosed