SCHEMBL8555879

SCHEMBL8555879

O=C=Nc1cc(C(=O)OCc2ccccc2)c(Cl)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.46
PKM P14618 1/20 0.46
ALDH1A1 P00352 4/20 0.45
POLB P06746 1/20 0.44
TDP1 Q9NUW8 3/20 0.44
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
DHODH Q02127 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.39
LMNA P02545 1/20 0.39
STAT3 P40763 1/20 0.38
GCGR P47871 1/20 0.38

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
SCHEMBL10916815 0.81 CYP4F2 (0.47) KMT2ACYP1A2CYP2C19TSHRMAPK1
SCHEMBL8066513 0.79 ALDH1A1 (0.61) L3MBTL1ALDH1A1POLBTDP1SLC6A2
SCHEMBL4132618 0.79 ALDH1A1 (0.64) L3MBTL1ALDH1A1POLBTDP1SLC6A2
SCHEMBL8555147 0.79 ALDH1A1 (0.50) L3MBTL1PKMALDH1A1POLBTDP1
SCHEMBL31448243 0.79 ALDH1A1 (0.50) L3MBTL1PKMALDH1A1POLBTDP1
SCHEMBL8926445 0.78 NPC1 (0.43) L3MBTL1ALDH1A1KMT2ACYP1A2CYP2C9
SCHEMBL7682549 0.77 GAA (0.41) ALDH1A1POLBKMT2ACYP1A2CYP2C19
SCHEMBL30987203 0.76 KEAP1 (0.39) ALDH1A1POLBTDP1KMT2ATSHR
SCHEMBL521687 0.76 ALDH1A1 (0.69) L3MBTL1ALDH1A1POLBTDP1SLC6A2
SCHEMBL31448230 0.76 L3MBTL1 (0.47) L3MBTL1PKMALDH1A1POLBTDP1

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
EP-0863142-A1 Heterocyclic herbicides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-09-09 EP disclosed