SCHEMBL20224965

SCHEMBL20224965

O=C(CCCc1ncccn1)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.51
ALDH1A1 P00352 4/20 0.51
MAPK1 P28482 2/20 0.51
KMT2A Q03164 3/20 0.50
TDP1 Q9NUW8 3/20 0.47
TSHR P16473 1/20 0.47
CASP3 P42574 1/20 0.47
RAB9A P51151 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
POLB P06746 2/20 0.47
CASP1 P29466 1/20 0.45
LMNA P02545 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
GAA P10253 1/20 0.43
ALOX5 P09917 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL24322325 0.95 L3MBTL1 (0.50) L3MBTL1ALDH1A1MAPK1KMT2ATDP1
SCHEMBL20224957 0.85 SMN1; SMN2 (0.58) L3MBTL1ALDH1A1MAPK1KMT2ATDP1
SCHEMBL14368556 0.84 TDP1 (0.61) L3MBTL1ALDH1A1MAPK1KMT2ATDP1
SCHEMBL20224953 0.82 POLB (0.52) L3MBTL1ALDH1A1MAPK1KMT2ATDP1
SCHEMBL3963428 0.82 ALDH1A1 (0.68) L3MBTL1ALDH1A1MAPK1KMT2ATDP1
SCHEMBL18673 0.82 ALDH1A1 (0.68) L3MBTL1ALDH1A1MAPK1KMT2ATDP1
SCHEMBL24322040 0.82 MAPK1 (0.46) L3MBTL1ALDH1A1MAPK1KMT2ATDP1
SCHEMBL20224966 0.81 HDAC1 (0.46) L3MBTL1ALDH1A1MAPK1KMT2ATSHR
SCHEMBL17084551 0.80 TDP1 (0.67) L3MBTL1ALDH1A1MAPK1KMT2ATDP1
SCHEMBL2926392 0.80 ALDH1A1 (0.66) L3MBTL1ALDH1A1MAPK1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180154332-A1 HIGH PURITY CHROMATOGRAPHIC MATERIALS COMPRISING ION PAIRED-BONDED PHASES FOR SUPERCRITICAL FLUID CHROMATOGRAPHY WATERS TECHNOLOGIES CORPORATION 2018-06-07 US disclosed