SCHEMBL28985487

SCHEMBL28985487

CCn1c(O)c(N=Nc2ccc(OC)cc2)c(C)c(C#N)c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.50
MAPT P10636 10/20 0.50
MEN1 O00255 9/20 0.50
ALDH1A1 P00352 3/20 0.48
PKM P14618 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
RAB9A P51151 3/20 0.45
USP2 O75604 1/20 0.45
MCL1 Q07820 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
KDM4E B2RXH2 3/20 0.42
MITF O75030 1/20 0.42
THRB P10828 1/20 0.42
PABPC1 P11940 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
PTGS2 P35354 1/20 0.41
NPC1 O15118 2/20 0.40
LMNA P02545 2/20 0.38

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
SCHEMBL28985486 1.00 KMT2A (0.50) KMT2AMAPTMEN1ALDH1A1PKM
SCHEMBL16355193 0.86 MAPT (0.52) KMT2AMAPTMEN1ALDH1A1PKM
SCHEMBL11523970 0.86 KMT2A (0.66) KMT2AMAPTMEN1ALDH1A1PKM
SCHEMBL11525052 0.86 MAPT (0.55) KMT2AMAPTMEN1ALDH1A1PKM
SCHEMBL20024321 0.81 MAPT (0.69) KMT2AMAPTMEN1ALDH1A1PKM
SCHEMBL12694051 0.81 MAPT (0.48) KMT2AMAPTMEN1ALDH1A1PKM
SCHEMBL12693449 0.80 MAPT (0.39) KMT2AMAPTMEN1ALDH1A1PKM
SCHEMBL14115925 0.80 MAPT (0.39) KMT2AMAPTMEN1ALDH1A1PKM
SCHEMBL15693781 0.79 MAPT (0.54) KMT2AMAPTMEN1ALDH1A1PKM
SCHEMBL11525361 0.79 MAPT (0.54) KMT2AMAPTMEN1ALDH1A1PKM

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-115826120-A Optical member JSR株式会社 2023-03-21 CN disclosed