SCHEMBL22700443

SCHEMBL22700443

c1ccc(-c2nc(-c3ccc4c(c3)sc3c(-c5nc(-c6ccccc6)nc6ccccc56)cccc34)c3ccccc3n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
ATM Q13315 1/20 0.49
ALOX5 P09917 1/20 0.40
ADORA2A P29274 4/20 0.38
WHR1 P49842 1/20 0.38
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
ABCG2 Q9UNQ0 10/20 0.36
LIMK1 P53667 1/20 0.36
NUDT1 P36639 1/20 0.35
PDE5A O76074 1/20 0.35
ABCB1 P08183 1/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL22700756 0.91 MEN1 (0.53) MEN1KMT2AATMALOX5ADORA2A
SCHEMBL22700476 0.91 MEN1 (0.50) MEN1KMT2AATMALOX5ADORA2A
SCHEMBL22700481 0.91 MEN1 (0.53) MEN1KMT2AATMALOX5ADORA2A
SCHEMBL22700485 0.91 MEN1 (0.50) MEN1KMT2AATMALOX5ADORA2A
SCHEMBL22700446 0.90 MEN1 (0.49) MEN1KMT2AATMALOX5ADORA2A
SCHEMBL22700401 0.90 MEN1 (0.49) MEN1KMT2AATMALOX5ADORA2A
SCHEMBL22700480 0.90 MEN1 (0.52) MEN1KMT2AATMALOX5ADORA2A
SCHEMBL22700447 0.89 MEN1 (0.48) MEN1KMT2AATMALOX5ADORA2A
SCHEMBL22700451 0.89 MEN1 (0.48) MEN1KMT2AATMALOX5ADORA2A
SCHEMBL22700479 0.86 MEN1 (0.40) MEN1KMT2AATMALOX5ADORA2A

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-2020235976-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 (KR) 2020-11-26 WO disclosed