SCHEMBL21887009

SCHEMBL21887009

Cn1ccc(C(=O)OCc2ccccc2)nc1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
TDP1 Q9NUW8 4/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
ALDH1A1 P00352 7/20 0.45
JMJD6 Q6NYC1 1/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 3/20 0.44
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
CASP1 P29466 1/20 0.43
HTT P42858 1/20 0.43
CASP7 P55210 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TSHR P16473 4/20 0.43
MMP1 P03956 1/20 0.43

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
SCHEMBL21886942 0.83 TDP1 (0.47) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL24218702 0.83 ALDH1A1 (0.44) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL22005555 0.80 TSHR (0.65) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL17277210 0.77 ABL1 (0.55) ALDH1A1MAPTHSD17B10TSHRRAB9A
SCHEMBL22946291 0.77 TDP1 (0.61) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL21290242 0.76 TDP1 (0.49) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL28670443 0.75 TDP1 (0.51) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL13733547 0.75 TDP1 (0.47) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL23873979 0.75 ALDH1A1 (0.48) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL325874 0.74 KMT2A (0.51) KMT2ATDP1SLC6A2SLC6A3ALDH1A1

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-2020065408-A1 SULFOMALEIMIDE-BASED LINKERS AND CORRESPONDING CONJUGATES PIERRE FABRE MEDICAMENT (FR) 2020-04-02 WO disclosed