SCHEMBL14985308

SCHEMBL14985308

O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCOCCOCCOc1ccc(-n2ncc3c2CCCC3NC(=O)c2ccccn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.45
PDE6D O43924 1/20 0.45
PRSS1 P07477 3/20 0.45
PRSS2 P07478 3/20 0.45
PRSS3 P35030 3/20 0.45
TPSAB1 Q15661 3/20 0.45
F2 P00734 2/20 0.45
PLG P00747 2/20 0.45
CHI3L1 P36222 1/20 0.44
MAP3K7 O43318 1/20 0.44
LYPLA2 O95372 1/20 0.43
HSP90AB1 P08238 1/20 0.43
DHODH Q02127 5/20 0.43
FOLH1 Q04609 1/20 0.43
SORT1 Q99523 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPK3 P27361 1/20 0.43
L3MBTL3 Q96JM7 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
SCHEMBL14977448 0.92 DHODH (0.44) PDE6DDHODHGAAKMT2ASMN1; SMN2
SCHEMBL14977653 0.80 DHODH (0.60) DHODHGAAKMT2ASMN1; SMN2
SCHEMBL14985324 0.77 DHODH (0.61) DHODHGAAKMT2ASMN1; SMN2
SCHEMBL14985323 0.77 DHODH (0.55) DHODHGAAKMT2ASMN1; SMN2
SCHEMBL13328914 0.74 GBA1 (0.56) PKMPDE6DPRSS1PRSS2PRSS3
SCHEMBL13328915 0.74 GBA1 (0.56) PKMPDE6DPRSS1PRSS2PRSS3
SCHEMBL10168530 0.73 PKM (0.60) PKMPDE6DPRSS1PRSS2PRSS3
SCHEMBL4401352 0.73 PKM (0.60) PKMPDE6DPRSS1PRSS2PRSS3
SCHEMBL16693779 0.73 PKM (0.60) PKMPDE6DPRSS1PRSS2PRSS3
SCHEMBL4160745 0.73 PKM (0.59) PKMPRSS1PRSS2PRSS3TPSAB1

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-2013078413-A1 MODULATORS OF LIPID STORAGE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2013-05-30 WO disclosed