SCHEMBL20115865

SCHEMBL20115865

Cc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2oc3ccccc3c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 4/20 0.35
HTT P42858 1/20 0.35
HPGD P15428 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MAOB P27338 1/20 0.34
PGR P06401 1/20 0.33
RORA P35398 1/20 0.33
RORC P51449 1/20 0.33
RORB Q92753 1/20 0.33
PON1 P27169 1/20 0.33
PPARG P37231 3/20 0.33
RXFP1 Q9HBX9 2/20 0.33
NR2E3 Q9Y5X4 2/20 0.33
NCOR2 Q9Y618 2/20 0.33

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
SCHEMBL15801370 0.94 MAPT (0.39) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL18707389 0.93 ALDH1A1 (0.43) ALDH1A1MAPTKDM4EHTTHPGD
SCHEMBL16920067 0.92 ALDH1A1 (0.41) ALDH1A1MAPTKDM4EHTTHPGD
SCHEMBL15785780 0.92 ALDH1A1 (0.41) ALDH1A1MAPTKDM4EHTTHPGD
SCHEMBL15959668 0.90 KDM4E (0.40) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL18707249 0.89 ALDH1A1 (0.45) ALDH1A1MAPTKDM4EHTTHPGD
SCHEMBL17993385 0.89 KDM4E (0.41) ALDH1A1MAPTKDM4EHTTHPGD
SCHEMBL17850761 0.89 KDM4E (0.41) ALDH1A1MAPTKDM4EHTTHPGD
SCHEMBL19961382 0.88 KIF11 (0.42) MAPTMEN1KMT2APPARGRXFP1
SCHEMBL19961390 0.87 MAOB (0.37) ALDH1A1MAPTKDM4EHTTHPGD

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-3119770-B1 NEW DIBENZOFURANS AND DIBENZOTHIOPHENES IDEMITSU KOSAN CO (JP) 2018-05-02 EP disclosed