SCHEMBL17879117

SCHEMBL17879117

c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4nc5nc(-c6ccc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)cc6)c(-c6ccc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)cc6)nc5nc4-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.45
L3MBTL1 Q9Y468 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HTT P42858 2/20 0.45
LMNA P02545 2/20 0.45
TP53 P04637 1/20 0.45
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ADK P55263 3/20 0.42
GAA P10253 2/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL18216992 1.00 TDP1 (0.45) TDP1L3MBTL1MEN1KMT2AHTT
SCHEMBL17879114 0.98 TDP1 (0.48) TDP1L3MBTL1MEN1KMT2AHTT
SCHEMBL17879112 0.98 TDP1 (0.47) TDP1L3MBTL1MEN1KMT2AHTT
SCHEMBL17879120 0.96 TDP1 (0.45) TDP1L3MBTL1MEN1KMT2AHTT
SCHEMBL17879138 0.92 ADK (0.43) TDP1L3MBTL1MEN1KMT2AHTT
SCHEMBL14447271 0.89 ALDH1A1 (0.46) TDP1L3MBTL1MEN1KMT2AHTT
SCHEMBL14447265 0.89 ALDH1A1 (0.46) TDP1L3MBTL1MEN1KMT2AHTT
SCHEMBL17879127 0.89 TDP1 (0.50) TDP1L3MBTL1MEN1KMT2AHTT
SCHEMBL14447266 0.87 L3MBTL1 (0.45) TDP1L3MBTL1MEN1KMT2AHTT
SCHEMBL14447304 0.87 ALDH1A1 (0.48) TDP1L3MBTL1MEN1KMT2AHTT

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-20160190478-A1 ORGANIC ELECTROLUMINESCENT DEVICE KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2016-06-30 US disclosed
US-20160190478-A1 ORGANIC ELECTROLUMINESCENT DEVICE KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2016-06-30 US disclosed