SCHEMBL7902231

SCHEMBL7902231

C=CC(=O)Cl.NOc1ccccc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.49
HSD17B10 Q99714 6/20 0.49
HPGD P15428 6/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 3/20 0.46
ALDH1A1 P00352 9/20 0.46
HMGB1 P09429 2/20 0.46
NAPRT Q6XQN6 2/20 0.46
ESR1 P03372 1/20 0.46
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
TSHR P16473 1/20 0.46
GGT1 P19440 1/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
BLM P54132 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
USP2 O75604 1/20 0.45
PDE3A Q14432 1/20 0.45
KMT2A Q03164 2/20 0.44

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
SCHEMBL29352508 0.86 KDM4E (0.59) KDM4EHSD17B10HPGDMAPTHTT
SCHEMBL104479 0.86 KDM4E (0.59) KDM4EHSD17B10HPGDMAPTHTT
SCHEMBL27946346 0.84 KDM4E (0.57) KDM4EHSD17B10HPGDMAPTHTT
Hydrazine SCHEMBL4457442 0.84 KDM4E (0.57) KDM4EHSD17B10HPGDMAPTHTT
SCHEMBL27521082 0.84 KDM4E (0.57) KDM4EHSD17B10HPGDMAPTHTT
Alcohol SCHEMBL29980553 0.79 KDM4E (0.56) KDM4EHSD17B10HPGDMAPTHTT
Pyrrole SCHEMBL28505756 0.76 KDM4E (0.53) KDM4EHSD17B10HPGDMAPTHTT
Azobenzene SCHEMBL28227687 0.76 KDM4E (0.49) KDM4EHSD17B10HPGDMAPTHTT
SCHEMBL29378503 0.74 KDM4E (0.73) KDM4EHSD17B10HPGDMAPTHTT
SCHEMBL752535 0.74 KDM4E (0.73) KDM4EHSD17B10HPGDMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6203708-B1 FOR REMOVING SOLUBLE ELECTROLYTES FROM AN IONISING SOLVENT MONASH UNIVERSITY (AU) 2001-03-20 US claimed
EP-0647160-B1 ION EXCHANGE RESIN UNIV MONASH (AU) 1998-09-02 EP claimed
EP-0647160-A4 ION EXCHANGE RESIN. UNIV MONASH (AU) 1995-08-30 EP claimed
WO-1995018159-A1 ION EXCHANGE RESINS MONTECH PTY. LTD. (AU) 1995-07-06 WO claimed
EP-0647160-A1 ION EXCHANGE RESIN MONASH UNIVERSITY (AU) 1995-04-12 EP claimed
WO-1994000237-A1 ION EXCHANGE RESIN MONASH UNIVERSITY (AU) 1994-01-06 WO claimed
US-6203708-B1 FOR REMOVING SOLUBLE ELECTROLYTES FROM AN IONISING SOLVENT MONASH UNIVERSITY (AU) 2001-03-20 US disclosed
EP-0647160-B1 ION EXCHANGE RESIN UNIV MONASH (AU) 1998-09-02 EP disclosed
EP-0647160-A4 ION EXCHANGE RESIN. UNIV MONASH (AU) 1995-08-30 EP disclosed
WO-1995018159-A1 ION EXCHANGE RESINS MONTECH PTY. LTD. (AU) 1995-07-06 WO disclosed
EP-0647160-A1 ION EXCHANGE RESIN MONASH UNIVERSITY (AU) 1995-04-12 EP disclosed
WO-1994000237-A1 ION EXCHANGE RESIN MONASH UNIVERSITY (AU) 1994-01-06 WO disclosed