SCHEMBL15032035

SCHEMBL15032035

C=CC(=O)NCNC(=O)CCN1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CHRM5 P08912 2/20 0.39
CHRM3 P20309 2/20 0.39
HSD17B10 Q99714 3/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
SIGMAR1 Q99720 2/20 0.36
MAPT P10636 2/20 0.35
SMYD3 Q9H7B4 1/20 0.34
TGM2 P21980 2/20 0.34
F13A1 P00488 1/20 0.34
TGM1 P22735 1/20 0.34
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33
KDM4E B2RXH2 2/20 0.33

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
SCHEMBL16574882 0.99 ALDH1A1 (0.46) ALDH1A1TSHRMAPK1TDP1MEN1
SCHEMBL16574887 0.91 ALDH1A1 (0.39) ALDH1A1TSHRMAPK1TDP1MEN1
SCHEMBL16574878 0.88 ALDH1A1 (0.36) ALDH1A1TSHRMAPK1TDP1MEN1
SCHEMBL15032039 0.87 HSD17B10 (0.46) MEN1KMT2ACHRM5CHRM3HSD17B10
SCHEMBL15032034 0.87 ALDH1A1 (0.38) ALDH1A1TSHRMAPK1TDP1MEN1
SCHEMBL28434860 0.84 ALDH1A1 (0.48) ALDH1A1TSHRMAPK1TDP1MEN1
SCHEMBL16574879 0.80 ITGB3 (0.44) ALDH1A1MAPK1MEN1KMT2ACHRM5
SCHEMBL730168 0.80 HSD17B10 (0.54) ALDH1A1TSHRMAPK1TDP1MEN1
SCHEMBL19334699 0.77 SMN1; SMN2 (0.51) ALDH1A1MEN1KMT2ACHRM5CHRM3
SCHEMBL2733785 0.76 ALDH1A1 (0.43) ALDH1A1TSHRMAPK1TDP1MEN1

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
WO-2013086523-A2 INJECTABLE HYDROGELS WILLIAM MARSH RICE UNIVERSITY (US) 2013-06-13 WO disclosed