SCHEMBL20224972

SCHEMBL20224972

O=C(CCCc1cnccn1)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.47
TDP1 Q9NUW8 2/20 0.47
LMNA P02545 1/20 0.47
ALDH1A1 P00352 3/20 0.45
MAPK1 P28482 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MEN1 O00255 3/20 0.45
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
CASP1 P29466 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
GRIN2B Q13224 1/20 0.41
PLAAT3 P53816 1/20 0.41
PLAAT5 Q96KN8 1/20 0.41
PLAAT2 Q9NWW9 1/20 0.41
PLAAT4 Q9UL19 1/20 0.41

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
SCHEMBL20083717 0.92 KMT2A (0.49) KMT2ATDP1LMNAALDH1A1MAPK1
SCHEMBL20224957 0.85 SMN1; SMN2 (0.58) KMT2ATDP1LMNAALDH1A1MAPK1
SCHEMBL20224969 0.82 TBXAS1 (0.60) KMT2ATDP1LMNAALDH1A1MAPK1
SCHEMBL20224981 0.82 L3MBTL1 (0.45) KMT2ATDP1LMNAALDH1A1MAPK1
SCHEMBL981335 0.79 ALDH1A1 (0.43) KMT2AALDH1A1MEN1SMN1; SMN2CYP1A2
SCHEMBL20224965 0.79 L3MBTL1 (0.51) KMT2ATDP1LMNAALDH1A1MAPK1
SCHEMBL20224953 0.79 POLB (0.52) KMT2ATDP1LMNAALDH1A1MAPK1
SCHEMBL14368556 0.78 TDP1 (0.61) KMT2ATDP1LMNAALDH1A1MAPK1
SCHEMBL20224983 0.78 L3MBTL1 (0.47) KMT2ATDP1LMNAALDH1A1MAPK1
SCHEMBL20224971 0.78 MAPK1 (0.50) KMT2ATDP1LMNAALDH1A1MAPK1

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