SCHEMBL11302003

SCHEMBL11302003

O=C(Nc1cc(-c2ccc(Br)cc2)on1)c1c(Cl)cccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.60
ALDH1A1 P00352 2/20 0.60
RAB9A P51151 5/20 0.60
L3MBTL1 Q9Y468 2/20 0.51
MAPT P10636 5/20 0.51
TP53 P04637 3/20 0.51
PTPN1 P18031 1/20 0.49
RXFP1 Q9HBX9 1/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
NPC1 O15118 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HTT P42858 1/20 0.48
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.46

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
SCHEMBL11285150 0.91 RAB9A (0.64) POLBALDH1A1RAB9AL3MBTL1MAPT
SCHEMBL11302896 0.89 RAB9A (0.59) POLBALDH1A1RAB9AL3MBTL1MAPT
SCHEMBL11279357 0.88 RAB9A (0.61) POLBALDH1A1RAB9AL3MBTL1MAPT
SCHEMBL11299628 0.88 RAB9A (0.64) ALDH1A1RAB9AL3MBTL1MAPTTP53
SCHEMBL11294081 0.87 RAB9A (0.67) POLBALDH1A1RAB9AL3MBTL1MAPT
SCHEMBL11276082 0.87 RAB9A (0.60) RAB9AL3MBTL1MAPTTP53MEN1
SCHEMBL11294531 0.86 RAB9A (0.61) POLBALDH1A1RAB9AL3MBTL1MAPT
SCHEMBL11300373 0.84 RAB9A (0.56) POLBRAB9AL3MBTL1MAPTTP53
SCHEMBL11291754 0.83 POLB (0.52) POLBALDH1A1RAB9AMAPTTP53
SCHEMBL11294584 0.83 MAPK1 (0.66) POLBALDH1A1RAB9AL3MBTL1MAPT

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-4322429-A Isoxazolylbenzamides as insecticides ELI LILLY AND COMPANY (US) 1982-03-30 US claimed