SCHEMBL5313232

SCHEMBL5313232

O=[N+]([O-])c1ccc(N=Nc2ccc(N(CCO)CCO)cc2)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.49
ALDH1A1 P00352 8/20 0.49
POLB P06746 4/20 0.49
GAA P10253 2/20 0.49
KMT2A Q03164 8/20 0.45
MEN1 O00255 6/20 0.45
NPC1 O15118 6/20 0.45
TDP1 Q9NUW8 5/20 0.45
RAB9A P51151 5/20 0.45
NPSR1 Q6W5P4 3/20 0.45
LMNA P02545 3/20 0.45
MAPK1 P28482 3/20 0.45
HSP90AA1 P07900 2/20 0.45
HTT P42858 1/20 0.45
RECQL P46063 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
MCL1 Q07820 2/20 0.45
PKM P14618 1/20 0.45
BLM P54132 1/20 0.45
NLRP3 Q96P20 1/20 0.45

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
SCHEMBL5313230 1.00 MAPT (0.49) MAPTALDH1A1POLBGAAKMT2A
SCHEMBL181173 0.93 MAPT (0.46) MAPTALDH1A1POLBGAAKMT2A
SCHEMBL532221 0.93 MAPT (0.46) MAPTALDH1A1POLBGAAKMT2A
SCHEMBL29712866 0.93 MAPT (0.46) MAPTALDH1A1POLBGAAKMT2A
SCHEMBL11434700 0.93 MAPT (0.52) MAPTALDH1A1POLBGAAKMT2A
SCHEMBL11434702 0.93 MAPT (0.52) MAPTALDH1A1POLBGAAKMT2A
SCHEMBL30072128 0.93 MAPT (0.52) MAPTALDH1A1POLBGAAKMT2A
SCHEMBL12955663 0.92 ALDH1A1 (0.42) MAPTALDH1A1POLBGAAKMT2A
SCHEMBL13417491 0.91 MAPT (0.41) MAPTALDH1A1POLBGAAKMT2A
SCHEMBL887525 0.87 ALDH1A1 (0.50) MAPTALDH1A1POLBGAAKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117820586-A Cationic waterborne polyurethane type macromolecular dye and preparation method thereof 香港理工大学深圳研究院 2024-04-05 CN claimed
CN-117820586-A Cationic waterborne polyurethane type macromolecular dye and preparation method thereof 香港理工大学深圳研究院 2024-04-05 CN disclosed
WO-2007051504-A1 COMPOSITION FOR COLOURING KERATIN-CONTAINING FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-05-10 WO disclosed