SCHEMBL29906501

SCHEMBL29906501

CC(C)(C)c1ccc(Nc2cc3c4ccc(-c5ccccc5)c(-c5ccccc5)c4c(Nc4ccc(C(C)(C)C)cc4)cc3c3ccccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 2/20 0.42
▸ SERPINE1 P05121 1/20 0.37
▸ GPR84 Q9NQS5 1/20 0.35
▸ KDR P35968 5/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ AKR1C3 P42330 2/20 0.34
▸ AKR1C2 P52895 2/20 0.34
▸ MAPT P10636 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ ACP1 P24666 1/20 0.32
▸ PSD A5PKW4 1/20 0.32
▸ MMP2 P08253 2/20 0.32
▸ MMP9 P14780 2/20 0.32
▸ MMP13 P45452 2/20 0.32

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
SCHEMBL29906464 0.85 TP53 (0.38) ABCG2MAPTKDM4EMEN1GLA
SCHEMBL13651086 0.80 ABCG2 (0.47) ABCG2KDRCA9AKR1C3AKR1C2
SCHEMBL29906504 0.77 ACP1 (0.36) MAPTMEN1GAAKMT2ATDP1
SCHEMBL15945870 0.75 KCNK18 (0.43) ABCG2SERPINE1MAPTKDM4EMEN1
SCHEMBL16428719 0.74 ABCG2 (0.40) ABCG2SERPINE1GPR84KDRCA9
SCHEMBL606994 0.73 HPRT1 (0.40) GPR84MAPTKDM4EMEN1GAA
SCHEMBL17920169 0.72 HSD17B2 (0.47) ABCG2SERPINE1AKR1C3AKR1C2MAPT
SCHEMBL25597867 0.72 ABCG2 (0.50) ABCG2SERPINE1GPR84KDRCA9
SCHEMBL23118189 0.72 AKR1C3 (0.46) ABCG2SERPINE1KDRCA9AKR1C3
SCHEMBL30503054 0.72 AKR1C3 (0.46) ABCG2SERPINE1KDRCA9AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110049990-B Polycyclic aromatic amino compound, material for organic element, organic electroluminescent element, display device, and lighting device 学校法人关西学院 2022-09-13 — — CN disclosed
Send feedback