SCHEMBL6847741

SCHEMBL6847741

CSc1cccc(NC(=N)N(C)c2cccc([S@+](C)[O-])c2)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
SIGMAR1 Q99720 3/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
USP2 O75604 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
POLB P06746 1/20 0.30
TSHR P16473 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL6847740 1.00 MAPT (0.37) MAPTMEN1KMT2AHTR3EHTR3B
SCHEMBL6847747 1.00 MAPT (0.37) MAPTMEN1KMT2AHTR3EHTR3B
Hydrochloric Acid SCHEMBL6846389 0.99 MAPT (0.36) MAPTMEN1KMT2AHTR3EHTR3B
Hydrochloric Acid SCHEMBL6846388 0.99 MAPT (0.36) MAPTMEN1KMT2AHTR3EHTR3B
Acetic Acid SCHEMBL7742902 0.95 MEN1 (0.38) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
Acetic Acid SCHEMBL7743298 0.95 MEN1 (0.38) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
Acetic Acid SCHEMBL7742906 0.95 MEN1 (0.38) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6846356 0.83 GRIN2D (0.44) MAPTMEN1KMT2AHTR3EHTR3B
SCHEMBL499303 0.83 GRIN2D (0.44) MAPTMEN1KMT2AHTR3EHTR3B
SCHEMBL499302 0.83 GRIN2D (0.44) MAPTMEN1KMT2AHTR3EHTR3B

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
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-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