SCHEMBL11779702

SCHEMBL11779702

O=C(O)c1ccc(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 2/20 0.61
POLB P06746 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
EGFR P00533 2/20 0.44
ABL1 P00519 1/20 0.44
ABL2 P42684 1/20 0.44
ACLY P53396 1/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 1/20 0.43
SRC P12931 1/20 0.41
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
CCR2 P41597 3/20 0.41
CCR5 P51681 2/20 0.40
CCR1 P32246 1/20 0.40
GPR17 Q13304 1/20 0.40
PGR P06401 1/20 0.40
PTPN1 P18031 1/20 0.40

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
SCHEMBL11702251 0.94 APEX1 (0.57) APEX1POLBCTDSP1L3MBTL1EGFR
SCHEMBL1636289 0.88 POLB (0.55) APEX1POLBCTDSP1L3MBTL1EGFR
Water SCHEMBL7466907 0.86 POLB (0.54) APEX1POLBCTDSP1L3MBTL1EGFR
SCHEMBL11776014 0.85 TDP1 (0.57) APEX1POLBCTDSP1L3MBTL1EGFR
SCHEMBL11582680 0.82 TDP1 (0.57) APEX1POLBCTDSP1L3MBTL1EGFR
SCHEMBL11775516 0.82 TDP1 (0.49) EGFRABL1ABL2ACLYLMNA
SCHEMBL11777951 0.80 TDP1 (0.53) APEX1POLBCTDSP1L3MBTL1LMNA
SCHEMBL11775484 0.79 SMN1; SMN2 (0.57) APEX1POLBCTDSP1L3MBTL1LMNA
SCHEMBL11780056 0.79 MEN1 (0.56) APEX1POLBCTDSP1L3MBTL1LMNA
SCHEMBL11775259 0.79 POLB (0.47) APEX1POLBCTDSP1L3MBTL1EGFR

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-3932419-A QUINOLINE DYES BAYER AKTIENGESELLSCHAFT (DT) 1976-01-13 US disclosed