SCHEMBL29664733

SCHEMBL29664733

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.44
MEN1 O00255 8/20 0.44
KMT2A Q03164 8/20 0.44
KDM4E B2RXH2 2/20 0.44
THRB P10828 2/20 0.44
MAPK1 P28482 2/20 0.44
MCL1 Q07820 1/20 0.44
LMNA P02545 7/20 0.41
POLB P06746 2/20 0.41
ALDH1A1 P00352 6/20 0.39
HPGD P15428 6/20 0.39
PKM P14618 2/20 0.39
APEX1 P27695 1/20 0.39
RECQL P46063 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MYC P01106 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
AGTR1 P30556 2/20 0.38
GSTM2 P28161 1/20 0.38
HTT P42858 4/20 0.37

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
SCHEMBL29664686 0.89 MAPT (0.42) MAPTMEN1KMT2AKDM4ETHRB
SCHEMBL27115860 0.81 GSTM2 (0.57) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL29664599 0.77 MAPT (0.35) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL9469435 0.77 ALDH1A1 (0.56) MAPTMEN1KMT2AKDM4EMAPK1
SCHEMBL24506876 0.76 MAPT (0.39) MAPTMEN1KMT2AKDM4ETHRB
SCHEMBL21597965 0.76 MYC (0.49) MAPTMEN1KMT2APOLBRECQL
SCHEMBL2183066 0.72 MAPT (0.58) MAPTKMT2AKDM4EMAPK1LMNA
SCHEMBL24506920 0.71 MAPT (0.43) MAPTMEN1KMT2AKDM4ETHRB
SCHEMBL24506880 0.70 MEN1 (0.45) MAPTMEN1KMT2AKDM4EMAPK1
SCHEMBL13398220 0.67 ALDH1A1 (0.53) MAPTMEN1KMT2AKDM4EMAPK1

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