SCHEMBL9010771

SCHEMBL9010771

O=C1NC(=O)c2ccc(N=Cc3ccccc3)c3cccc1c23

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
PARP1 P09874 3/20 0.49
NPSR1 Q6W5P4 3/20 0.49
CASP7 P55210 2/20 0.49
USP2 O75604 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
RGS12 O14924 1/20 0.49
CYP1A2 P05177 1/20 0.49
POLB P06746 1/20 0.49
CYP3A4 P08684 1/20 0.49
THRB P10828 1/20 0.49
CYP2C9 P11712 1/20 0.49
APEX1 P27695 1/20 0.49
CASP1 P29466 1/20 0.49
BRCA1 P38398 1/20 0.49
MTOR P42345 1/20 0.49
RECQL P46063 1/20 0.49
BLM P54132 1/20 0.49

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
SCHEMBL3890952 0.88 CISD1 (0.46) MAPTMEN1KMT2APARP1NPSR1
SCHEMBL3905741 0.88 CISD1 (0.46) MAPTMEN1KMT2APARP1NPSR1
SCHEMBL5711637 0.81 MEN1 (0.40) MAPTMEN1KMT2APARP1NPSR1
SCHEMBL4633743 0.81 MEN1 (0.40) MAPTMEN1KMT2APARP1NPSR1
Bromide SCHEMBL3890946 0.81 MEN1 (0.39) MAPTMEN1KMT2APARP1NPSR1
SCHEMBL28152737 0.80 MEN1 (0.59) MAPTMEN1KMT2APARP1NPSR1
SCHEMBL2544403 0.74 LMNA (0.50) MAPTMEN1KMT2APOLBBLM
SCHEMBL2544406 0.74 LMNA (0.50) MAPTMEN1KMT2APOLBBLM
SCHEMBL14323672 0.72 MEN1 (0.53) MAPTMEN1KMT2APARP1NPSR1
SCHEMBL28942602 0.72 PARP1 (0.61) MAPTMEN1KMT2APARP1NPSR1

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
EP-0437105-B1 Intermediates and colorants having primary hydroxyl enriched poly(oxyalkylene) moieties and their preparation MILLIKEN RES CORP (US) 1996-11-13 EP disclosed
US-5082938-A Having a high density hydroxyl distribution and branching due to a glycidol component; improved compatibility in polymer substrates; polyurethane intermediates; amine functionalities MILLIKEN RESEARCH CORPORATION (US) 1992-01-21 US disclosed
EP-0437105-A1 Intermediates and colorants having primary hydroxyl enriched poly(oxyalkylene) moieties and their preparation MILLIKEN RESEARCH CORPORATION (US) 1991-07-17 EP disclosed