SCHEMBL6846382

SCHEMBL6846382

C[S+]([O-])c1ccc(Cl)c(N=C(N)N2CCCc3ccc(C(F)(F)F)cc32)c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
CNR2 P34972 1/20 0.36
XIAP P98170 1/20 0.33
BIRC2 Q13490 1/20 0.33
NOTUM Q6P988 1/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31

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
Hydrochloric Acid SCHEMBL6775753 0.92 KMT2A (0.41) KMT2ANOTUMLMNAMEN1HTR2A
SCHEMBL7099398 0.88 KMT2A (0.40) KMT2ACNR2XIAPBIRC2NOTUM
SCHEMBL7026550 0.84 MAPT (0.43) KMT2ANOTUMLMNAMEN1ALDH1A1
SCHEMBL7613843 0.83 KMT2A (0.39) KMT2ACNR2XIAPBIRC2NOTUM
SCHEMBL7101845 0.81 HDAC8 (0.35) KMT2ACNR2XIAPBIRC2NOTUM
SCHEMBL7743748 0.78 ALDH1A1 (0.39) CNR2LMNAHTR2AHTR2CALDH1A1
SCHEMBL7101931 0.74 KMT2A (0.41) KMT2ANOTUMLMNAHTR2AHTR2C
Hydrochloric Acid SCHEMBL6774822 0.73 CNR2 (0.37) KMT2ACNR2XIAPBIRC2NOTUM
SCHEMBL9393577 0.69 CNR2 (0.52) CNR2XIAPBIRC2NOTUMHTR2A
SCHEMBL6770333 0.68 GPBAR1 (0.49) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1041986-A4 PHARMACEUTICALLY ACTIVE COMPOUND AND METHODS OF USE CAMBRIDGE NEUROSCIENCE INC (US) 2001-03-21 EP claimed
EP-1041986-A1 PHARMACEUTICALLY ACTIVE COMPOUND AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-10-11 EP claimed
WO-1999018962-A1 PHARMACEUTICALLY ACTIVE COMPOUND AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-04-22 WO claimed
US-6774263-B1 N-(2-CHLORO-5-METHYLTHIOPHENYL)-N'-(3-METHYLSULFINYLPHENYL)-N' -METHYLGUANIDINE; NEURODEGENERATIVE DISORDER TREATMENT CAMBRIDGE NEUROSCIENCE, INC. 2004-08-10 US disclosed
US-6774263-B1 N-(2-CHLORO-5-METHYLTHIOPHENYL)-N'-(3-METHYLSULFINYLPHENYL)-N' -METHYLGUANIDINE; NEURODEGENERATIVE DISORDER TREATMENT CAMBRIDGE NEUROSCIENCE, INC. 2004-08-10 US disclosed
EP-1041986-A4 PHARMACEUTICALLY ACTIVE COMPOUND AND METHODS OF USE CAMBRIDGE NEUROSCIENCE INC (US) 2001-03-21 EP disclosed
EP-1041986-A4 PHARMACEUTICALLY ACTIVE COMPOUND AND METHODS OF USE CAMBRIDGE NEUROSCIENCE INC (US) 2001-03-21 EP disclosed
EP-1041986-A1 PHARMACEUTICALLY ACTIVE COMPOUND AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-10-11 EP disclosed
EP-1041986-A1 PHARMACEUTICALLY ACTIVE COMPOUND AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-10-11 EP disclosed
WO-1999018962-A1 PHARMACEUTICALLY ACTIVE COMPOUND AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-04-22 WO disclosed
WO-1999018962-A1 PHARMACEUTICALLY ACTIVE COMPOUND AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-04-22 WO disclosed