SCHEMBL25759327

SCHEMBL25759327

CC(C)/C=C1/C(=O)c2ccccc2C1=C(C#N)C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.39
PKM P14618 3/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 8/20 0.39
ALDH1A1 P00352 6/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HIF1A Q16665 1/20 0.39
TDP2 O95551 2/20 0.36
S100A4 P26447 1/20 0.36
NSD2 O96028 1/20 0.36
PLA2G1B P04054 1/20 0.36
HSP90AA1 P07900 1/20 0.36
CCR6 P51684 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
DHODH Q02127 1/20 0.36
HPGD P15428 2/20 0.35
NFKB1 P19838 1/20 0.34
CASP3 P42574 1/20 0.34
NFKB2 Q00653 1/20 0.34

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
SCHEMBL1104969 1.00 KMT2A (0.39) KMT2APKMMEN1MAPTALDH1A1
SCHEMBL20821301 0.90 MAPT (0.35) KMT2APKMMEN1MAPTALDH1A1
SCHEMBL16977316 0.84 S100A4 (0.42) KMT2APKMMEN1MAPTALDH1A1
SCHEMBL2681524 0.84 S100A4 (0.42) KMT2APKMMEN1MAPTALDH1A1
SCHEMBL2681526 0.84 S100A4 (0.42) KMT2APKMMEN1MAPTALDH1A1
SCHEMBL22544872 0.83 S100A4 (0.41) KMT2APKMMEN1MAPTALDH1A1
SCHEMBL25759331 0.82 PKM (0.34) KMT2APKMMEN1MAPTALDH1A1
SCHEMBL1100632 0.81 KMT2A (0.35) KMT2APKMMEN1MAPTALDH1A1
SCHEMBL20365624 0.81 TDP2 (0.42) KMT2APKMMEN1MAPTALDH1A1
SCHEMBL20365626 0.81 TDP2 (0.42) KMT2APKMMEN1MAPTALDH1A1

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
EP-4199128-A1 A COMPOSITION FOR DETECTION AND/OR EMISSION OF CIRCULARLY POLARIZED LIGHT IN NEAR-INFRARED REGION AND A DEVICE COMPRISING SUCH A COMPOSITION Gao, Feng (SE) 2023-06-21 EP disclosed