SCHEMBL10891900

SCHEMBL10891900

C=CCN(NCC(=C)O)c1ccc(N(CC=C)NCC(=C)O)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.35
PKM P14618 1/20 0.34
KMT2A Q03164 6/20 0.34
MEN1 O00255 5/20 0.34
ALDH1A1 P00352 5/20 0.34
L3MBTL1 Q9Y468 4/20 0.34
NSD2 O96028 3/20 0.34
LMNA P02545 3/20 0.34
MAPT P10636 3/20 0.34
EGFR P00533 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RAB9A P51151 1/20 0.34
PTK2B Q14289 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CASP3 P42574 2/20 0.33
S1PR1 P21453 1/20 0.33
BLM P54132 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MITF O75030 1/20 0.33

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
SCHEMBL10813403 0.83 TOP2B (0.45) POLBPKMKMT2AMEN1ALDH1A1
SCHEMBL7771196 0.71 MAOA (0.40) POLBPKMKMT2AMEN1ALDH1A1
SCHEMBL7122665 0.65 MEN1 (0.54) POLBPKMKMT2AMEN1ALDH1A1
SCHEMBL728510 0.64 MEN1 (0.60) POLBPKMKMT2AMEN1ALDH1A1
SCHEMBL187595 0.62 MAPT (0.74) POLBKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL31171427 0.62 MAPT (0.74) POLBKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL7129845 0.62 L3MBTL1 (0.53) POLBPKMKMT2AMEN1ALDH1A1
SCHEMBL11046426 0.61 MAOA (0.51) POLBKMT2AMEN1ALDH1A1LMNA
SCHEMBL10891910 0.60 KMT2A (0.48) POLBPKMKMT2AMEN1ALDH1A1
SCHEMBL13370299 0.60 MEN1 (0.54) POLBPKMKMT2AMEN1ALDH1A1

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-0122417-A3 POLYMERIC(((OXAZOLIDINYL)ALKYL)AMINO)ANTHRAQUINONES AMERICAN CYANAMID COMPANY (US) 1986-01-08 EP disclosed
EP-0122417-A2 Polymeric(((oxazolidinyl)alkyl)amino)anthraquinones AMERICAN CYANAMID COMPANY (US) 1984-10-24 EP disclosed