SCHEMBL11447145

SCHEMBL11447145

CP(=O)(O)Oc1ccccc1CBr

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
INPPL1 O15357 1/20 0.36
INPP5B P32019 1/20 0.36
INPP5A Q14642 1/20 0.36
SRC P12931 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
PDE3A Q14432 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK1 P28482 1/20 0.36
NPC1 O15118 2/20 0.35
POLB P06746 2/20 0.35
PTK2B Q14289 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL778837 0.85 SMN1; SMN2 (0.49) SMN1; SMN2CYP2C19HTTL3MBTL1INPPL1
SCHEMBL10432957 0.85 INPPL1 (0.52) INPPL1INPP5BINPP5ASRCALDH1A1
SCHEMBL27537851 0.85 L3MBTL1 (0.39) SMN1; SMN2HTTL3MBTL1HPGDMAPK1
SCHEMBL27748629 0.82 PNMT (0.39) SMN1; SMN2CYP2C19HTTL3MBTL1INPPL1
SCHEMBL10432956 0.81 LMNA (0.38) SMN1; SMN2HTTL3MBTL1INPPL1INPP5B
SCHEMBL11440971 0.79 CA2 (0.42) HTTL3MBTL1INPPL1INPP5BINPP5A
SCHEMBL779407 0.78 KDM4E (0.46) L3MBTL1ALDH1A1GAAKDM4ETSHR
SCHEMBL28853887 0.76 SMN1; SMN2 (0.60) SMN1; SMN2CYP2C19L3MBTL1INPPL1INPP5B
SCHEMBL28074624 0.76 HPGD (0.41) SMN1; SMN2CYP2C19HTTINPPL1INPP5B
SCHEMBL31509935 0.75 L3MBTL1 (0.34) SMN1; SMN2HTTL3MBTL1MAPK1LMNA

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-4219510-A POSTEMERGENCE AND PREEMERGENCE HERBICIDES MONSANTO COMPANY (US) 1980-08-26 US disclosed