SCHEMBL27801451

SCHEMBL27801451

CC(C)(C)C1(C(C)(C)C)c2ccccc2-c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 12/20 0.44
THRB P10828 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
S100A4 P26447 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
OPRK1 P41145 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ITGA4 P13612 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 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
SCHEMBL13533743 0.86 MEN1 (0.46) THRBTDP1S100A4KDM4EMEN1
SCHEMBL1921512 0.82 PDK2 (0.36) PDK2
SCHEMBL1923391 0.82 PDK2 (0.54) PDK2TDP1KDM4EMAPT
SCHEMBL1921129 0.82 PDK2 (0.54) PDK2S100A4
SCHEMBL18913699 0.77 PDK2 (0.43) PDK2THRBTDP1S100A4KDM4E
SCHEMBL24973268 0.75 PDK2 (0.41) PDK2THRBTDP1S100A4KDM4E
SCHEMBL7312926 0.75 PDK2 (0.64) PDK2
SCHEMBL30258015 0.74 PDK2 (0.62) PDK2
SCHEMBL6856357 0.74 PDK2 (0.62) PDK2
SCHEMBL30173375 0.73 NOX1 (0.39) TDP1MEN1LMNAMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118290272-A Amino compound and organic electroluminescent device 南京高光半导体材料有限公司 2024-07-05 CN disclosed
CN-118290272-A Amino compound and organic electroluminescent device 南京高光半导体材料有限公司 2024-07-05 CN disclosed
CN-103864586-B Bis ether compound and resin combination with fluorene skeleton 新日铁住金化学株式会社 2018-01-09 CN disclosed
CN-101696171-A Preparation method of 2-amino-9,9'-2-substituted fluorene PUYANG HUICHENG CHEMICALS CO L 2010-04-21 CN disclosed