SCHEMBL28056018

SCHEMBL28056018

C=CCP(=O)(O)Oc1ccccc1CN

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.35
PNMT P11086 1/20 0.34
KDM4E B2RXH2 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LIG1 P18858 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
PDE3A Q14432 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
INPPL1 O15357 1/20 0.32
INPP5B P32019 1/20 0.32
INPP5A Q14642 1/20 0.32
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
PTK2B Q14289 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
SCHEMBL777614 0.86 L3MBTL1 (0.39) SRCKDM4ESMN1; SMN2LIG1GAA
SCHEMBL778382 0.86 KDM4E (0.42) KDM4ELMNAGAAALDH1A1TSHR
SCHEMBL3392987 0.86 SRC (0.36) SRCKDM4ELIG1GAAUSP2
SCHEMBL27770071 0.80 PNMT (0.37) SRCPNMTKDM4ESMN1; SMN2LMNA
SCHEMBL27650151 0.79 INPPL1 (0.52) SRCPNMTKDM4ESMN1; SMN2LMNA
SCHEMBL777592 0.78 KDM4E (0.42) SRCKDM4ESMN1; SMN2LMNAALDH1A1
SCHEMBL780820 0.78 SRC (0.47) SRCKDM4ESMN1; SMN2LIG1GAA
Phosphoric Acid SCHEMBL28106182 0.77 INPPL1 (0.50) SRCPNMTKDM4ESMN1; SMN2LMNA
SCHEMBL27748629 0.76 PNMT (0.39) SRCPNMTKDM4ESMN1; SMN2LMNA
SCHEMBL13538322 0.74 SRC (0.53) SRCKDM4ESMN1; SMN2GAAALDH1A1

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
CN-103259044-B Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEMICAL CORP. (JP) 2016-02-10 CN disclosed