SCHEMBL7262152

SCHEMBL7262152

O=C1NCCc2ccc(cc2)CCN1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 2/20 0.46
PARP10 Q53GL7 8/20 0.37
PARP1 P09874 7/20 0.37
PARP11 Q9NR21 5/20 0.37
PDPK1 O15530 1/20 0.37
MAP2K1 Q02750 1/20 0.34
ALOX5 P09917 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
BMPR2 Q13873 1/20 0.33
F7 P08709 1/20 0.32
F3 P13726 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL11180783 0.84 MEN1 (0.39) CRBNPARP10PARP1PARP11PDPK1
SCHEMBL820510 0.74 PARP11 (0.59) CRBNPARP10PARP1PARP11PDPK1
SCHEMBL28169062 0.71 CRBN (0.47) CRBNALOX5GAAKMT2A
SCHEMBL6274768 0.71
SCHEMBL9827 0.71
SCHEMBL27243917 0.71 KDM4E (0.39) CRBNPARP10PARP1PARP11PDPK1
Benzene SCHEMBL27581246 0.69 ALOX5 (0.43) CRBNPARP10PARP1PARP11PDPK1
SCHEMBL10813740 0.68
Hydrochloric Acid SCHEMBL1650597 0.68
Hydrochloric Acid SCHEMBL6065391 0.68

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
US-6653399-B2 Blend of polylactam and polydsaccharides; biodegradation DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-11-25 US disclosed
US-20020161110-A1 Water absorbent material DAINIPPON INK AND CHEMICALS, INC. (JP) 2002-10-31 US disclosed
EP-1236507-A2 Water absorbent material comprising polysaccharide derivatives DAINIPPON INK AND CHEMICALS, INC. (JP) 2002-09-04 EP disclosed