SCHEMBL19336913

SCHEMBL19336913

Cc1ccc2c(c1)c1cc3c(cc1n2-c1nc(-c2ccccc2)cc(-c2ccccc2)n1)C(C)(C)c1ccccc1-3

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.38
▸ KDM4E B2RXH2 7/20 0.38
▸ ALDH1A1 P00352 7/20 0.38
▸ KMT2A Q03164 6/20 0.38
▸ LMNA P02545 5/20 0.38
▸ MEN1 O00255 5/20 0.38
▸ NPSR1 Q6W5P4 3/20 0.38
▸ RECQL P46063 1/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ HSD17B10 Q99714 1/20 0.36
▸ HPGD P15428 3/20 0.35
▸ HSP90AA1 P07900 2/20 0.35
▸ TDP1 Q9NUW8 3/20 0.35
▸ AGTR1 P30556 1/20 0.33
▸ THRB P10828 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ NR1I2 O75469 1/20 0.32
▸ AHR P35869 1/20 0.32
▸ CYP1A2 P05177 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
SCHEMBL17985339 0.90 MEN1 (0.33) MAPTKDM4EALDH1A1KMT2ALMNA
SCHEMBL783565 0.90 MAPT (0.34) MAPTKDM4EALDH1A1KMT2ALMNA
SCHEMBL802702 0.89 MEN1 (0.36) MAPTKDM4EALDH1A1KMT2ALMNA
SCHEMBL15806152 0.88 RXFP1 (0.34) MAPTKDM4EALDH1A1KMT2ALMNA
SCHEMBL16978573 0.88 MAPT (0.33) MAPTKDM4EALDH1A1KMT2ALMNA
SCHEMBL19104499 0.88 MAPT (0.33) MAPTKDM4EALDH1A1KMT2ALMNA
SCHEMBL16978582 0.88 MAPT (0.33) MAPTKDM4EALDH1A1KMT2ALMNA
SCHEMBL15806083 0.88 ALDH1A1 (0.34) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL802759 0.88 MAPT (0.31) MAPTKDM4EALDH1A1KMT2ALMNA
SCHEMBL803054 0.88 MEN1 (0.40) MAPTKDM4EALDH1A1KMT2ALMNA

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
EP-2931698-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-09-13 — — EP disclosed
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