SCHEMBL9407899

SCHEMBL9407899

COc1ccc(N(C(=O)Oc2c3ccccc3nc3ccccc23)S(=O)(=O)c2ccc(C(=O)ON3C(=O)CCC3=O)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.43
HSP90AA1 P07900 3/20 0.43
KMT2A Q03164 3/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 3/20 0.41
TP53 P04637 3/20 0.41
NPSR1 Q6W5P4 1/20 0.40
C1R P00736 1/20 0.40
POLB P06746 1/20 0.40
KEAP1 Q14145 2/20 0.39
NFE2L2 Q16236 2/20 0.39
TSHR P16473 1/20 0.39
F2 P00734 1/20 0.38
HPGD P15428 1/20 0.38
BRD4 O60885 1/20 0.38
UBE2N P61088 1/20 0.38

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
SCHEMBL9407935 0.92 GAA (0.36) ALDH1A1MAPTKMT2AGAALMNA
SCHEMBL8074295 0.92 MAPT (0.40) ALDH1A1MAPTHSP90AA1KMT2AGAA
SCHEMBL9407963 0.91 MAPT (0.43) ALDH1A1MAPTHSP90AA1KMT2AGAA
SCHEMBL8074300 0.86 ALDH1A1 (0.40) ALDH1A1MAPTHSP90AA1KMT2AGAA
SCHEMBL8079548 0.84 ALDH1A1 (0.38) ALDH1A1MAPTHSP90AA1KMT2AGAA
Bromide SCHEMBL7459708 0.84 HSP90AA1 (0.50) ALDH1A1MAPTHSP90AA1KMT2AGAA
SCHEMBL7471994 0.82 KEAP1 (0.47) ALDH1A1MAPTHSP90AA1KMT2AGAA
SCHEMBL8470965 0.79 TP53 (0.44) ALDH1A1MAPTHSP90AA1KMT2AGAA
SCHEMBL8079566 0.78 LMNA (0.37) ALDH1A1MAPTGAALMNATP53
Bromide SCHEMBL8076530 0.77 KEAP1 (0.46) ALDH1A1MAPTHSP90AA1KMT2AGAA

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-0602524-A1 Chemiluminescence marked sequences and their use in sequence testing HOECHST AKTIENGESELLSCHAFT (DE) 1994-06-22 EP disclosed