SCHEMBL28110233

SCHEMBL28110233

CCCCCc1ccc2c(c1CCCC)C(C)(C)C(C)=N2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TYR P14679 3/20 0.39
ALOX5 P09917 2/20 0.34
PTGS2 P35354 1/20 0.34
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KCNH2 Q12809 1/20 0.33
TLR8 Q9NR97 2/20 0.33
ELANE P08246 2/20 0.32
CTSG P08311 2/20 0.32
LIPG Q9Y5X9 1/20 0.31
BID P55957 3/20 0.30
MCL1 Q07820 3/20 0.30
BCL2L1 Q07817 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
SCHEMBL28229028 0.82 MEN1 (0.43) MEN1KMT2ATYRALOX5PTGS2
SCHEMBL10861846 0.81 MEN1 (0.40) MEN1KMT2ATYRPTGS2TP53
Iodide SCHEMBL27547267 0.79 MEN1 (0.43) MEN1KMT2ATYRALOX5PTGS2
SCHEMBL28229027 0.73 MEN1 (0.38) MEN1KMT2ATYRALOX5PTGS2
SCHEMBL1133572 0.71 TYR (0.53) MEN1KMT2ATYRALOX5PTGS2
SCHEMBL31230428 0.71 TYR (0.53) MEN1KMT2ATYRALOX5PTGS2
SCHEMBL29193291 0.69 TYR (0.46) MEN1KMT2ATYRALOX5PTGS2
SCHEMBL11331495 0.69 TYR (0.57) MEN1KMT2ATYRALOX5PTGS2
SCHEMBL1822032 0.69 TYR (0.57) MEN1KMT2ATYRALOX5PTGS2
SCHEMBL10608218 0.69 TYR (0.57) MEN1KMT2ATYRALOX5PTGS2

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
CN-103534246-B A kind of photoelectric material and its production and use NANKAI UNIVERSITY (CN) 2016-11-30 CN disclosed