SCHEMBL17985339

SCHEMBL17985339

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ ADORA3 P0DMS8 3/20 0.33
▸ NR1I2 O75469 1/20 0.33
▸ AHR P35869 1/20 0.33
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ MAPT P10636 4/20 0.32
▸ ABCG2 Q9UNQ0 2/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ ABCB1 P08183 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NLRP3 Q96P20 1/20 0.32
▸ LMNA P02545 3/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ TP53 P04637 2/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ RECQL P46063 1/20 0.32
▸ PDK2 Q15119 1/20 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
SCHEMBL10046644 0.96 MEN1 (0.33) MEN1KMT2AADORA3NR1I2AHR
SCHEMBL802107 0.92 L3MBTL1 (0.35) MEN1KMT2AADORA3L3MBTL1MAPT
SCHEMBL802738 0.91 MEN1 (0.33) MEN1KMT2AL3MBTL1MAPTLMNA
SCHEMBL802490 0.91 MEN1 (0.33) MEN1KMT2AL3MBTL1MAPTLMNA
SCHEMBL802464 0.91 NPC1 (0.36) MEN1KMT2AADORA3NR1I2L3MBTL1
SCHEMBL19336913 0.90 MAPT (0.38) MEN1KMT2ANR1I2AHRL3MBTL1
SCHEMBL782089 0.90 MEN1 (0.33) MEN1KMT2AL3MBTL1MAPTALDH1A1
SCHEMBL802996 0.90 MEN1 (0.33) MEN1KMT2AL3MBTL1MAPTALDH1A1
SCHEMBL31722 0.90 L3MBTL1 (0.32) MEN1KMT2AL3MBTL1MAPTABCG2
SCHEMBL19474359 0.90 MEN1 (0.35) MEN1KMT2AADORA3L3MBTL1MAPT

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
WO-2016119992-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2016-08-04 — — WO disclosed
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