SCHEMBL13018552

SCHEMBL13018552

C/C(=C(\N)C=O)N(C)N(C)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
TSHR P16473 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HTT P42858 2/20 0.34
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
PLAU P00749 1/20 0.31
FAAH O00519 1/20 0.31
PHGDH O43175 1/20 0.31
MGLL Q99685 1/20 0.31
GLA P06280 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NOS3 P29474 1/20 0.31

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
SCHEMBL28423988 0.74 NPSR1 (0.43) ALDH1A1TSHRMEN1KMT2AHTT
SCHEMBL28419824 0.70 ALDH1A1 (0.56) ALDH1A1TSHRMEN1KMT2AHTT
SCHEMBL24288619 0.66 MEN1 (0.46) ALDH1A1TSHRMEN1KMT2AHTT
SCHEMBL7258074 0.66 ALDH1A1 (0.46) ALDH1A1TSHRKMT2ANPSR1MAPK1
SCHEMBL6865133 0.65 MEN1 (0.52) ALDH1A1TSHRMEN1KMT2AHTT
SCHEMBL7666215 0.64 NPSR1 (0.38) ALDH1A1TSHRMEN1KMT2AHTT
Formic Acid SCHEMBL27578333 0.63 KMT2A (0.43) ALDH1A1TSHRMEN1KMT2AHTT
SCHEMBL28147365 0.63 ALDH1A1 (0.48) ALDH1A1TSHRMEN1KMT2AHTT
Formic Acid SCHEMBL1042545 0.62 RAB9A (0.54) ALDH1A1TSHRMEN1KMT2AHTT
SCHEMBL11399712 0.62 KMT2A (0.47) ALDH1A1MEN1KMT2AHTTNPSR1

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
EP-2255787-A1 SYNTHETIC GLYCOLIPID-CONTAINING LIPOSOMES Katayama Chemical Industries Co., Ltd. (JP) 2010-12-01 EP disclosed