SCHEMBL5861280

SCHEMBL5861280

CCCC(=O)NCc1cc(Cl)ccn1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
HPGD P15428 4/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
GSK3B P49841 1/20 0.45
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
F2 P00734 1/20 0.43
PRSS1 P07477 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALOX15 P16050 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL12845660 0.88 F2 (0.44) HTTHPGDALDH1A1MEN1KMT2A
SCHEMBL5729579 0.81 NPSR1 (0.50) HPGDALDH1A1MEN1KMT2APOLB
SCHEMBL30451523 0.81 NPSR1 (0.50) HPGDALDH1A1MEN1KMT2APOLB
SCHEMBL12845344 0.81 ALOX15 (0.69) HTTHPGDALDH1A1MEN1KMT2A
SCHEMBL21437557 0.80 RAB9A (0.48) HPGDMEN1KMT2APOLBF2
SCHEMBL12845330 0.77 POLB (0.68) HPGDALDH1A1MEN1KMT2APOLB
SCHEMBL26693753 0.77 SMN1; SMN2 (0.47) HPGDALDH1A1MEN1KMT2APOLB
SCHEMBL1690435 0.77 HPGD (0.68) HPGDALDH1A1MEN1KMT2APOLB
SCHEMBL27170354 0.77 WDR5 (0.45) HTTHPGDALDH1A1MEN1KMT2A
SCHEMBL11286425 0.76 GSK3A (0.54) HPGDALDH1A1MEN1KMT2AGSK3B

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
US-7060752-B2 Synthesis and use of nitrophenol resins NEW YORK UNIVERSITY (US) 2006-06-13 US disclosed
US-20040087726-A1 Synthesis and use of nitrophenol resins NEW YORK UNIVERSITY 2004-05-06 US disclosed