SCHEMBL9730719

SCHEMBL9730719

O=Cc1ccc(N(CCCl)CCCl)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.48
ALDH1A1 P00352 5/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
SMN1; SMN2 Q16637 4/20 0.37
MAPT P10636 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
EGFR P00533 5/20 0.36
ERBB2 P04626 4/20 0.36
HIF1A Q16665 3/20 0.36
LMNA P02545 2/20 0.36
NFKB1 P19838 2/20 0.36
THPO P40225 2/20 0.36
PMP22 Q01453 2/20 0.36
GMNN O75496 1/20 0.36
CYP2D6 P10635 1/20 0.36
GABRA1 P14867 1/20 0.36

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
SCHEMBL31696766 0.83 ALDH1A1 (0.41) TDP1ALDH1A1L3MBTL1SMN1; SMN2MAPT
SCHEMBL10333910 0.81 ALDH1A1 (0.49) TDP1ALDH1A1L3MBTL1SMN1; SMN2MAPT
SCHEMBL11697271 0.81 ALDH1A1 (0.40) TDP1ALDH1A1L3MBTL1SMN1; SMN2MAPT
SCHEMBL11265833 0.81 TYR (0.41) TDP1ALDH1A1L3MBTL1SMN1; SMN2MAPT
SCHEMBL9733725 0.81 ALDH1A1 (0.66) TDP1ALDH1A1L3MBTL1SMN1; SMN2MAPT
SCHEMBL11525002 0.80 ALDH1A1 (0.36) TDP1ALDH1A1L3MBTL1SMN1; SMN2MAPT
SCHEMBL7085605 0.76 SLC16A3 (0.45) TDP1ALDH1A1L3MBTL1TSHRCYP1A2
SCHEMBL9513863 0.74 ALDH1A1 (0.50) ALDH1A1L3MBTL1SMN1; SMN2MAPTMEN1
SCHEMBL1002405 0.74 TDP1 (0.55) TDP1ALDH1A1L3MBTL1MAPTKDM4E
SCHEMBL29848301 0.74 TDP1 (0.55) TDP1ALDH1A1L3MBTL1MAPTKDM4E

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-5091501-A Process for preparing 2H-1-benzopyran-2-ones and polyesters containing 2H-1-benzopyran-2-one residues EASTMAN KODAK COMPANY (US) 1992-02-25 US disclosed