SCHEMBL6204568

SCHEMBL6204568

O=C(O)/C(O)=C\C(=O)c1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.61
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 2/20 0.53
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
GAA P10253 1/20 0.53
ATM Q13315 1/20 0.51
POLB P06746 2/20 0.50
PFKFB3 Q16875 2/20 0.50
GPR27 Q9NS67 1/20 0.50
MAPT P10636 1/20 0.50
PLAU P00749 1/20 0.50
ITGA1 P56199 2/20 0.49
PKM P14618 1/20 0.49
PKLR P30613 1/20 0.49
PGR P06401 1/20 0.49
KAT6A Q92794 1/20 0.49
SLC16A3 O15427 2/20 0.48

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
SCHEMBL6204562 1.00 AKR1C3 (0.61) AKR1C3MEN1KMT2AALDH1A1LMNA
SCHEMBL6204571 1.00 AKR1C3 (0.61) AKR1C3MEN1KMT2AALDH1A1LMNA
SCHEMBL7311403 0.84 AKR1C3 (0.85) AKR1C3MEN1KMT2AALDH1A1LMNA
SCHEMBL6205259 0.84 KMT2A (0.59) MEN1KMT2ALMNAPOLBPFKFB3
SCHEMBL6205252 0.84 KMT2A (0.59) MEN1KMT2ALMNAPOLBPFKFB3
SCHEMBL6205255 0.84 KMT2A (0.59) MEN1KMT2ALMNAPOLBPFKFB3
SCHEMBL6204561 0.82 PGR (0.59) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL6204559 0.82 PGR (0.59) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL6204555 0.82 PGR (0.59) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL6206726 0.81 TSHR (0.57) ALDH1A1PFKFB3MAPTITGA1PGR

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-1100763-B1 DIKETOACID-DERIVATIVES AS INHIBITORS OF POLYMERASES ANGELETTI P IST RICHERCHE BIO (IT) 2005-06-22 EP claimed