SCHEMBL29664686

SCHEMBL29664686

C=C(C)C(=O)OCCNc1ccc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)c2nonc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.42
KDM4E B2RXH2 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
THRB P10828 1/20 0.42
MAPK1 P28482 1/20 0.42
MCL1 Q07820 1/20 0.42
LMNA P02545 7/20 0.41
POLB P06746 2/20 0.41
ALDH1A1 P00352 9/20 0.40
SMN1; SMN2 Q16637 7/20 0.40
HTT P42858 3/20 0.40
GLA P06280 1/20 0.39
HPGD P15428 2/20 0.39
PKM P14618 1/20 0.39
APEX1 P27695 1/20 0.39
RECQL P46063 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TP53 P04637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL29664733 0.89 MAPT (0.44) MAPTKDM4EMEN1KMT2ATHRB
SCHEMBL24506920 0.82 MAPT (0.43) MAPTKDM4EMEN1KMT2ATHRB
SCHEMBL27115860 0.81 GSTM2 (0.57) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL24506880 0.78 MEN1 (0.45) MAPTKDM4EMEN1KMT2AMAPK1
SCHEMBL9469435 0.77 ALDH1A1 (0.56) MAPTKDM4EMEN1KMT2AMAPK1
SCHEMBL24506876 0.76 MAPT (0.39) MAPTKDM4EMEN1KMT2ATHRB
SCHEMBL13398220 0.74 ALDH1A1 (0.53) MAPTKDM4EMEN1KMT2AMAPK1
SCHEMBL21597965 0.74 MYC (0.49) MAPTMEN1KMT2APOLBHTT
SCHEMBL2183066 0.72 MAPT (0.58) MAPTKDM4EKMT2AMAPK1LMNA
SCHEMBL29664599 0.70 MAPT (0.35) MAPTKDM4EMEN1KMT2ALMNA

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
EP-4255897-A1 DYES UNDERGOING CHANGES IN COLOR AND FLUORESCENCE UPON BINDING OF ORGANIC OXO COMPOUNDS Bundesrepublik Deutschland, vertreten durch den Bundesminister für Wirtschaft und Energie, dieser vertreten durch den Präsidenten der (DE) 2023-10-11 EP disclosed
WO-2022122402-A1 DYES UNDERGOING CHANGES IN COLOR AND FLUORESCENCE UPON BINDING OF ORGANIC OXO COMPOUNDS BUNDESREPUBLIK DEUTSCHLAND, VERTRETEN DURCH DEN BUNDESMINISTER FÜR WIRTSCHAFT UND ENERGIE, DIESER VERTRETEN DURCH DEN PRÄSIDENTEN DER BUNDESANSTALT FÜR MATERIALFORSCHUNG UND -PRÜFUNG, (BAM) (DE) 2022-06-16 WO disclosed