SCHEMBL9968155

SCHEMBL9968155

Cn1c2ccncc2c2ccc(CC(C)(C)C)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAOA P21397 5/20 0.39
MAOB P27338 5/20 0.39
ACHE P22303 1/20 0.39
TOP2A P11388 1/20 0.38
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
CYP2D6 P10635 1/20 0.37
ROCK2 O75116 5/20 0.35
HDAC3 O15379 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
KIF11 P52732 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
CYP3A4 P08684 1/20 0.33
ABCC1 P33527 1/20 0.33

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
SCHEMBL9968103 0.90 MAOA (0.43) HPGDKDM4EALDH1A1HSD17B10MAOA
SCHEMBL25058982 0.84 HPGD (0.46) HPGDKDM4EALDH1A1HSD17B10MAPT
SCHEMBL18354306 0.84 HPGD (0.42) HPGDKDM4EALDH1A1HSD17B10MAOA
SCHEMBL9968122 0.83 KDM4E (0.41) HPGDKDM4EALDH1A1HSD17B10MAOA
SCHEMBL9968159 0.80 KDM4E (0.59) HPGDKDM4EALDH1A1HSD17B10MAPT
SCHEMBL9968115 0.80 TOP2A (0.38) MAOAMAOBACHETOP2AMAPT
SCHEMBL18354602 0.77 TOP2A (0.42) MAOAMAOBACHETOP2AMAPT
SCHEMBL280029 0.76 TOP2A (0.50) MAOAMAOBACHETOP2AMAPT
SCHEMBL13100686 0.75 TOP2A (0.47) KDM4EALDH1A1MAOAMAOBACHE
SCHEMBL20129120 0.74 TOP2A (0.42) HPGDKDM4EALDH1A1MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed
US-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed