SCHEMBL11776014

SCHEMBL11776014

O=C(O)c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.57
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ENPP1 P22413 5/20 0.48
ENPP3 O14638 4/20 0.48
POLB P06746 1/20 0.47
APEX1 P27695 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ENPP2 Q13822 3/20 0.46
ALPL P05186 1/20 0.45
ALPI P09923 1/20 0.45
ALDH1A1 P00352 1/20 0.45
ABL1 P00519 1/20 0.43
EGFR P00533 1/20 0.43
ABL2 P42684 1/20 0.43
P2RY2 P41231 1/20 0.43
GPR17 Q13304 1/20 0.43
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.42

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
SCHEMBL11582680 0.91 TDP1 (0.57) TDP1MEN1KMT2AENPP1ENPP3
SCHEMBL1636289 0.87 POLB (0.55) TDP1MEN1KMT2APOLBAPEX1
SCHEMBL11777951 0.86 TDP1 (0.53) TDP1MEN1KMT2AENPP1ENPP3
Water SCHEMBL7466907 0.86 POLB (0.54) TDP1MEN1KMT2APOLBAPEX1
SCHEMBL11779702 0.85 APEX1 (0.61) TDP1POLBAPEX1CTDSP1L3MBTL1
SCHEMBL11780056 0.85 MEN1 (0.56) MEN1KMT2AENPP1ENPP3POLB
SCHEMBL11775484 0.85 SMN1; SMN2 (0.57) TDP1MEN1KMT2APOLBAPEX1
SCHEMBL11775043 0.85 POLB (0.47) TDP1MEN1KMT2AENPP1ENPP3
SCHEMBL11775259 0.85 POLB (0.47) TDP1MEN1KMT2APOLBAPEX1
SCHEMBL11775516 0.84 TDP1 (0.49) TDP1MEN1KMT2AENPP1ENPP3

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