SCHEMBL9407963

SCHEMBL9407963

COc1ccc(N(C(=O)Oc2c3ccccc3nc3ccccc23)S(=O)(=O)c2cccc(C(=O)ON3C(=O)CCC3=O)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
KMT2A Q03164 6/20 0.43
ALDH1A1 P00352 5/20 0.43
GAA P10253 2/20 0.43
HSP90AA1 P07900 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 3/20 0.40
MEN1 O00255 2/20 0.39
TSHR P16473 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
MAPK1 P28482 1/20 0.37
F2 P00734 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL9407899 0.91 ALDH1A1 (0.43) MAPTKMT2AALDH1A1GAAHSP90AA1
Bromide SCHEMBL7469202 0.85 KMT2A (0.48) MAPTKMT2AALDH1A1GAAHSP90AA1
SCHEMBL9407935 0.83 GAA (0.36) MAPTKMT2AALDH1A1GAASMN1; SMN2
SCHEMBL7470894 0.83 KMT2A (0.44) MAPTKMT2AALDH1A1GAAHSP90AA1
SCHEMBL8074295 0.83 MAPT (0.40) MAPTKMT2AALDH1A1GAAHSP90AA1
SCHEMBL8074300 0.81 ALDH1A1 (0.40) MAPTKMT2AALDH1A1GAAHSP90AA1
SCHEMBL8079548 0.79 ALDH1A1 (0.38) MAPTKMT2AALDH1A1GAAHSP90AA1
Bromide SCHEMBL7459708 0.77 HSP90AA1 (0.50) MAPTKMT2AALDH1A1GAAHSP90AA1
SCHEMBL7471994 0.73 KEAP1 (0.47) MAPTKMT2AALDH1A1GAAHSP90AA1
SCHEMBL8079566 0.73 LMNA (0.37) MAPTALDH1A1GAASMN1; SMN2KDM4E

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