SCHEMBL4844978

SCHEMBL4844978

O=Cc1cc(F)c(-c2ccccc2Cl)cc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 8/20 0.46
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TRIM24 O15164 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
DHODH Q02127 1/20 0.36
MIF P14174 1/20 0.35

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
SCHEMBL12834084 0.75 ERN1 (0.57) ERN1ALDH1A1MEN1KMT2ANPC1
SCHEMBL1922020 0.75 ERN1 (0.55) ERN1ALDH1A1MEN1KMT2ANPC1
SCHEMBL5896326 0.73 ALDH1A1 (0.46) ERN1ALDH1A1MEN1KMT2AMAPT
SCHEMBL27317315 0.73 HSD11B1 (0.45) ERN1ALDH1A1MEN1KMT2ANPC1
SCHEMBL10921345 0.73 HSD11B1 (0.42) ERN1ALDH1A1NPC1LMNAMAPT
SCHEMBL31183331 0.73 ERN1 (0.48) ERN1ALDH1A1MEN1KMT2ANPC1
SCHEMBL692164 0.73 ERN1 (0.48) ERN1ALDH1A1MEN1KMT2ANPC1
SCHEMBL31183326 0.73 ERN1 (0.48) ERN1ALDH1A1MEN1KMT2ANPC1
SCHEMBL4967830 0.73 ERN1 (0.39) ERN1ALDH1A1MEN1KMT2ANPC1
SCHEMBL6535907 0.73 ERN1 (0.61) ERN1ALDH1A1MEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7354954-B1 Use of GABA agonists for treatment of spastic disorders, convulsions, and epilepsy UAB RESEARCH FOUNDATION, THE 2008-04-08 US claimed
US-7354954-B1 Use of GABA agonists for treatment of spastic disorders, convulsions, and epilepsy UAB RESEARCH FOUNDATION, THE 2008-04-08 US disclosed
US-20060142396-A1 Use of GABA agonists for the treatment of spastic disorders, convulsions, epilepsy, and neuroprotection THE UAB RESEARCH FOUNDATION (US) 2006-06-29 US disclosed
EP-1202720-A4 USE OF GABA AGONISTS FOR TREATMENT OF SPASTIC DISORDERS, CONVULSIONS, AND EPILEPSY UAB RESEARCH FOUNDATION (US) 2004-02-25 EP disclosed
EP-1202720-A1 USE OF GABA AGONISTS FOR TREATMENT OF SPASTIC DISORDERS, CONVULSIONS, AND EPILEPSY UAB Research Foundation (US) 2002-05-08 EP disclosed
WO-2001010432-A1 USE OF GABA AGONISTS FOR TREATMENT OF SPASTIC DISORDERS, CONVULSIONS, AND EPILEPSY UAB RESEARCH FOUNDATION (US) 2001-02-15 WO disclosed