SCHEMBL29527488

SCHEMBL29527488

Brc1ccc(-c2ccc3ccc4ccc(-c5ccccc5)nc4c3n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
MAPK1 P28482 1/20 0.54
AGTR1 P30556 1/20 0.50
PARP1 P09874 1/20 0.47
RAB9A P51151 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MCL1 Q07820 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
DGAT1 O75907 1/20 0.43
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43

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
SCHEMBL17899360 1.00 ALDH1A1 (0.54) ALDH1A1MAPK1AGTR1PARP1RAB9A
SCHEMBL21849527 0.98 ALDH1A1 (0.58) ALDH1A1MAPK1AGTR1PARP1RAB9A
SCHEMBL17174161 0.93 AGTR1 (0.49) ALDH1A1MAPK1AGTR1PARP1RAB9A
SCHEMBL17899359 0.92 RXFP1 (0.46) ALDH1A1MAPK1AGTR1RAB9AMEN1
SCHEMBL30080785 0.92 RXFP1 (0.46) ALDH1A1MAPK1AGTR1RAB9AMEN1
SCHEMBL17174140 0.91 AGTR1 (0.47) ALDH1A1MAPK1AGTR1PARP1RAB9A
SCHEMBL21849537 0.90 ALDH1A1 (0.48) ALDH1A1MAPK1AGTR1PARP1RAB9A
SCHEMBL10032304 0.89 MEN1 (0.56) ALDH1A1PARP1RAB9AMEN1KMT2A
SCHEMBL30870477 0.89 MEN1 (0.56) ALDH1A1PARP1RAB9AMEN1KMT2A
SCHEMBL30870479 0.89 MEN1 (0.56) ALDH1A1PARP1RAB9AMEN1KMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111183134-B Heterocyclic compound and organic light-emitting device comprising the same LT素材株式会社 2025-05-09 CN disclosed
CN-119490498-A Cyanopyrimidine derivative organic compound, application thereof, perovskite solar cell and organic electroluminescent device 北京绿人科技有限责任公司 2025-02-21 CN disclosed
CN-119490497-A Organic compound containing fluoropyrimidine derivative, application of organic compound, perovskite solar cell and organic electroluminescent device 北京绿人科技有限责任公司 2025-02-21 CN disclosed
CN-111406057-B Heterocyclic compound and organic light-emitting device comprising same LT素材株式会社 2023-04-18 CN disclosed
CN-110121794-B Organic light emitting device LT素材株式会社 2023-04-04 CN disclosed
CN-111247146-B Heterocyclic compound and organic light-emitting device using same LT素材株式会社 2022-11-01 CN disclosed
CN-109476608-B Heterocyclic compound and organic light-emitting device using the same LT素材株式会社 2022-09-20 CN disclosed
CN-110291088-B Heterocyclic compound and organic light-emitting device using the same LT素材株式会社 2022-06-07 CN disclosed
CN-110036013-B Heterocyclic compound and organic light-emitting device using the same LT素材株式会社 2022-04-12 CN disclosed