SCHEMBL7819486

SCHEMBL7819486

Cc1ccc(S(=O)(=O)Oc2ccc(F)c3c2C(=O)c2nccnc2C3=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.39
GAA P10253 5/20 0.39
MEN1 O00255 4/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
ALDH1A1 P00352 6/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
GFER P55789 1/20 0.37
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
MAPT P10636 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
THRB P10828 1/20 0.36
PKM P14618 1/20 0.34

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
SCHEMBL7817471 0.82 KMT2A (0.39) KMT2AGAAMEN1ESR1ESR2
SCHEMBL7817372 0.81 KMT2A (0.37) KMT2AGAAMEN1ESR1ESR2
SCHEMBL7804670 0.81 KMT2A (0.37) KMT2AGAAMEN1ESR1ESR2
SCHEMBL8541074 0.80 S100A4 (0.44) KMT2AGAAMEN1ESR1ESR2
SCHEMBL7817749 0.76 LMNA (0.37) KMT2AGAAMEN1ESR1ESR2
SCHEMBL7818383 0.76 LMNA (0.37) KMT2AGAAMEN1ESR1ESR2
SCHEMBL7819532 0.76 PRKDC (0.41) KMT2AGAAMEN1ESR1ESR2
SCHEMBL7817043 0.73 ALDH1A1 (0.45) KMT2AGAAMEN1ALDH1A1TDP1
SCHEMBL9194706 0.72 KMT2A (0.43) KMT2AGAAMEN1ESR1ESR2
SCHEMBL594052 0.72 VDR (0.54) KMT2AGAAMEN1ESR1ESR2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0750619-B1 HETERO-ANNULATED INDAZOLES NOVUSPHARMA SPA (IT) 2001-05-30 EP disclosed
US-5596097-A ANTITUMOR AGENTS THE UNIVERSITY OF VERMONT (US) 1997-01-21 US disclosed
EP-0750619-A1 HETERO-ANNULATED INDAZOLES BOEHRINGER MANNHEIM ITALIA S.p.A. (IT) 1997-01-02 EP disclosed
WO-1995024407-A1 HETERO-ANNULATED INDAZOLES BOEHRINGER MANNHEIM ITALIA, S.P.A. (IT) 1995-09-14 WO disclosed