SCHEMBL7384763

SCHEMBL7384763

COc1ccc(CCN=c2scc(C(C)(C)c3ccc(Cl)c(Cl)c3)n2CCc2ccc(OC)c(OC)c2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 5/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 5/20 0.38
MAPT P10636 3/20 0.38
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 2/20 0.36
CDK8 P49336 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
RECQL P46063 1/20 0.36
HSP90AA1 P07900 1/20 0.35
PAX8 Q06710 1/20 0.35
GAA P10253 1/20 0.34
KCNH2 Q12809 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33

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
SCHEMBL7384761 1.00 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
Bromide SCHEMBL7376822 0.99 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
Bromide SCHEMBL7376823 0.99 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
Bromide SCHEMBL7978526 0.77 ALDH1A1 (0.41) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL7377045 0.75 ALDH1A1 (0.37) ALDH1A1SIGMAR1
SCHEMBL7377047 0.75 ALDH1A1 (0.37) ALDH1A1SIGMAR1
SCHEMBL7384674 0.75 ALDH1A1 (0.41) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL7384676 0.75 ALDH1A1 (0.41) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
Bromide SCHEMBL7495158 0.74 ALDH1A1 (0.41) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
Bromide SCHEMBL7495152 0.74 ALDH1A1 (0.41) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0970090-B1 SUBSTITUTED 4-ARYLMETHYLENE-2-IMINO-2,3-DIHYDROTHIAZOLES AND DERIVATIVES AND THEIR PHARMACEUTICAL USE KNOLL GMBH (DE) 2002-06-05 EP claimed
US-6187802-B1 3-(1-(3,4-DICHLOROPHENYL)CYCLOBUTYL)-5,6-DIHYDROIMIDAZO(2,1-B) THIAZOLE, FOR EXAMPLE; ADMINISTERING TO TREAT DEPRESSION, ANXIETY, PARKINSON'S DISEASE, OBESITY, COGNITIVE DISORDERS, SEIZURES, AND FOR NEUROPROTECTION AGAINST STROKE KNOLL AKTIENGESELLSCHAFT (DE) 2001-02-13 US claimed
EP-0970090-A1 SUBSTITUTED 4-ARYLMETHYLENE-2-IMINO-2,3-DIHYDROTHIAZOLES AND DERIVATIVES AND THEIR PHARMACEUTICAL USE Knoll AG (DE) 2000-01-12 EP claimed
WO-1998041528-A1 SUBSTITUTED 4-ARYLMETHYLENE-2-IMINO-2,3-DIHYDROTHIAZOLES AND DERIVATIVES AND THEIR PHARMACEUTICAL USE KNOLL AKTIENGESELLSCHAFT (DE) 1998-09-24 WO claimed
EP-0970090-B1 SUBSTITUTED 4-ARYLMETHYLENE-2-IMINO-2,3-DIHYDROTHIAZOLES AND DERIVATIVES AND THEIR PHARMACEUTICAL USE KNOLL GMBH (DE) 2002-06-05 EP disclosed
US-6187802-B1 3-(1-(3,4-DICHLOROPHENYL)CYCLOBUTYL)-5,6-DIHYDROIMIDAZO(2,1-B) THIAZOLE, FOR EXAMPLE; ADMINISTERING TO TREAT DEPRESSION, ANXIETY, PARKINSON'S DISEASE, OBESITY, COGNITIVE DISORDERS, SEIZURES, AND FOR NEUROPROTECTION AGAINST STROKE KNOLL AKTIENGESELLSCHAFT (DE) 2001-02-13 US disclosed
EP-0970090-A1 SUBSTITUTED 4-ARYLMETHYLENE-2-IMINO-2,3-DIHYDROTHIAZOLES AND DERIVATIVES AND THEIR PHARMACEUTICAL USE Knoll AG (DE) 2000-01-12 EP disclosed
WO-1998041528-A1 SUBSTITUTED 4-ARYLMETHYLENE-2-IMINO-2,3-DIHYDROTHIAZOLES AND DERIVATIVES AND THEIR PHARMACEUTICAL USE KNOLL AKTIENGESELLSCHAFT (DE) 1998-09-24 WO disclosed