SCHEMBL29420141

SCHEMBL29420141

CC1(C)c2ccc(Br)cc2-c2cc3ccccc3cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.45
PDE4B Q07343 1/20 0.36
PDK2 Q15119 1/20 0.36
PTPRC P08575 1/20 0.35
MEN1 O00255 3/20 0.34
MAPT P10636 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RAB9A P51151 2/20 0.34
HTT P42858 2/20 0.34
ALK Q9UM73 1/20 0.34
TSHR P16473 2/20 0.33
NPC1 O15118 1/20 0.33
CYP19A1 P11511 1/20 0.32
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL29563418 1.00 CYP2A6 (0.45) CYP2A6PDE4BPDK2PTPRCMEN1
SCHEMBL16801566 1.00 CYP2A6 (0.45) CYP2A6PDE4BPDK2PTPRCMEN1
SCHEMBL29562304 0.89 PDK2 (0.46) CYP2A6PDE4BPDK2PTPRCMEN1
SCHEMBL13828827 0.89 PDK2 (0.46) CYP2A6PDE4BPDK2PTPRCMEN1
SCHEMBL19197207 0.89 CYP2A6 (0.55) CYP2A6PDK2PTPRCMEN1MAPT
SCHEMBL29383770 0.89 PDK2 (0.46) CYP2A6PDE4BPDK2PTPRCMEN1
SCHEMBL2790733 0.86 PDK2 (0.44) CYP2A6PDK2PTPRCMEN1MAPT
SCHEMBL18311776 0.85 CYP2A6 (0.46) CYP2A6PDK2PTPRCMEN1MAPT
SCHEMBL22688536 0.85 CYP2A6 (0.46) CYP2A6PDK2PTPRCMEN1MAPT
SCHEMBL805016 0.84 S100A4 (0.41) CYP2A6PDE4BPDK2PTPRCMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3803998-B1 ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2025-07-30 EP disclosed
CN-111557122-B Material for organic electroluminescent device 默克专利有限公司 2024-10-29 CN disclosed
US-20240341110-A1 PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2024-10-10 US disclosed
EP-4025571-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmbH (DE) 2022-07-13 EP disclosed
CN-114163301-A Preparation method of benzo [ B ] fluorene derivative and derivative thereof 陕西维世诺新材料有限公司 2022-03-11 CN disclosed