SCHEMBL7878804

SCHEMBL7878804

N#Cc1cc(Br)c(OC(=O)OCOC(=O)CCCOc2ccc(Cl)cc2Cl)c(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
HPGD P15428 8/20 0.47
MRGPRX4 Q96LA9 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
TP53 P04637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
TSHR P16473 2/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
NLRP1 Q9C000 1/20 0.42
MAPK1 P28482 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL7718108 0.89 TDP1 (0.47) MAPTMRGPRX4ALDH1A1L3MBTL1TDP1
SCHEMBL14872182 0.80 MRGPRX4 (0.51) MAPTHPGDMRGPRX4SMN1; SMN2ALDH1A1
SCHEMBL7878610 0.77 HPGD (0.59) MAPTHPGDSMN1; SMN2MEN1KMT2A
SCHEMBL7709886 0.75 MAPT (0.68) MAPTHPGDSMN1; SMN2MEN1KMT2A
SCHEMBL7881129 0.71 GAA (0.40) MAPTMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL7718047 0.71 MEN1 (0.39) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL1090743 0.71 MAPT (0.74) MAPTHPGDSMN1; SMN2MEN1KMT2A
SCHEMBL7713706 0.70 MAPT (0.64) MAPTHPGDSMN1; SMN2MEN1KMT2A
SCHEMBL14872188 0.69 MRGPRX4 (0.54) MAPTHPGDMRGPRX4SMN1; SMN2ALDH1A1
SCHEMBL7881971 0.69 ALDH1A1 (0.47) MAPTHPGDMRGPRX4SMN1; SMN2MEN1

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-2001056358-A2 ENHANCED PROPERTIED PESTICIDES ROHM AND HAAS COMPANY (US) 2001-08-09 WO disclosed