SCHEMBL17899176

SCHEMBL17899176

c1ccc(-c2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc(-c3ccc(-c4cccc5ccccc45)cc3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.42
▸ MAPT P10636 5/20 0.42
▸ HPGD P15428 5/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ NTSR1 P30989 1/20 0.42
▸ KDM4E B2RXH2 5/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ ATM Q13315 2/20 0.41
▸ ENPP3 O14638 1/20 0.41
▸ ENPP1 P22413 1/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL17899168 0.99 ALDH1A1 (0.43) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL14416359 0.95 MEN1 (0.40) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL14416368 0.95 MEN1 (0.40) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL14416337 0.95 MEN1 (0.42) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL13100591 0.95 MEN1 (0.42) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL13100581 0.95 MEN1 (0.42) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL10128991 0.95 MEN1 (0.42) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL14748803 0.94 ALDH1A1 (0.40) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL17655910 0.94 ALDH1A1 (0.40) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL14749011 0.94 ALDH1A1 (0.40) ALDH1A1MAPTHPGDMEN1KMT2A

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-20160197289-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 — — US disclosed
US-20160197289-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 — — US disclosed
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