SCHEMBL23630508

SCHEMBL23630508

CC1(C)c2cc(Br)cc(Cl)c2-c2ccc3ccccc3c21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
CYP2A6 P11509 2/20 0.35
CYP1A2 P05177 2/20 0.35
MAPT P10636 4/20 0.35
KDM4E B2RXH2 3/20 0.35
HTT P42858 2/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
APEX1 P27695 1/20 0.35
RECQL P46063 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
DHFR P00374 4/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
PDK2 Q15119 1/20 0.32
CYP1A1 P04798 1/20 0.31
CYP1B1 Q16678 1/20 0.31
MAPK1 P28482 1/20 0.31
TYMS P04818 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL23743376 0.81 CYP2A6 (0.44) MEN1KMT2ACYP2A6CYP1A2MAPT
SCHEMBL29562732 0.79 CYP2A6 (0.40) MEN1KMT2ACYP2A6CYP1A2MAPT
SCHEMBL13828968 0.79 CYP2A6 (0.40) MEN1KMT2ACYP2A6CYP1A2MAPT
SCHEMBL29771097 0.79 CYP2A6 (0.40) MEN1KMT2ACYP2A6CYP1A2MAPT
SCHEMBL23637444 0.78 MEN1 (0.32) MEN1KMT2ACYP2A6CYP1A2MAPT
SCHEMBL25878979 0.77 TP53 (0.31) MAPTDHFR
SCHEMBL20806323 0.75 CYP2A6 (0.38) MEN1KMT2ACYP2A6CYP1A2MAPT
SCHEMBL3752543 0.75 MEN1 (0.44) MEN1KMT2ACYP2A6CYP1A2MAPT
SCHEMBL17852140 0.74 CYP2A6 (0.39) MEN1KMT2ACYP2A6CYP1A2MAPT
SCHEMBL1012419 0.73 TRPM4 (0.40) MEN1KMT2ACYP1A2MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021141356-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-07-15 WO disclosed
WO-2021141356-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-07-15 WO disclosed