SCHEMBL23606191

SCHEMBL23606191

CC1(C)c2ccccc2-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)C4(c6ccccc6-5)C5CC6CC(C5)CC4C6)n3)c21

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.31
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
GLA P06280 1/20 0.30
PDK2 Q15119 2/20 0.30

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
SCHEMBL23605947 0.96 RARB (0.32) HTTMEN1ALDH1A1MAPTHPGD
SCHEMBL25038314 0.94 MEN1 (0.31) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL23606340 0.94 HTT (0.31) HTTMEN1ALDH1A1MAPTHPGD
SCHEMBL25878848 0.93 PDK2 (0.32) HTTMEN1ALDH1A1MAPTHPGD
SCHEMBL25817903 0.92
SCHEMBL23606158 0.92 HTT (0.31) HTTMEN1ALDH1A1MAPTHPGD
SCHEMBL23606195 0.91 MEN1 (0.33) HTTMEN1ALDH1A1MAPTHPGD
SCHEMBL25035840 0.90
SCHEMBL23606159 0.90 HTT (0.34) HTTLMNA
SCHEMBL25038165 0.90 MEN1 (0.31) MEN1ALDH1A1MAPTHPGDKMT2A

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-2021128764-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE 陕西莱特光电材料股份有限公司 2021-07-01 WO disclosed