SCHEMBL6138093

SCHEMBL6138093

CSc1cccc(NC(=N)N)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.58
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
POLB P06746 2/20 0.58
TP53 P04637 1/20 0.58
MAPK1 P28482 1/20 0.58
HSD17B10 Q99714 1/20 0.58
ALDH1A1 P00352 2/20 0.55
RAB9A P51151 3/20 0.54
GAA P10253 1/20 0.54
KDM4E B2RXH2 1/20 0.54
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
NPC1 O15118 2/20 0.50
HPGD P15428 1/20 0.50
RECQL P46063 1/20 0.50

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
Acetic Acid SCHEMBL27563712 0.92 MEN1 (0.63) MAPTMEN1KMT2ASMN1; SMN2POLB
Isophthalic Acid SCHEMBL27904099 0.87 MEN1 (0.57) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL6716900 0.85 MAPT (0.62) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL7865726 0.84 MAPT (0.60) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL27699157 0.82 MAPT (0.63) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL651726 0.82 MAPT (0.64) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL356986 0.82 MAPT (0.68) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL30933151 0.82 MAPT (0.68) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL3068048 0.79 HTR3E (0.61) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL8332645 0.78 TRPV1 (0.48) ALDH1A1

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-1032556-A4 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE INC (US) 2005-02-02 EP claimed
EP-1032556-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-09-06 EP claimed
WO-1999020599-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-04-29 WO claimed
EP-2766326-A1 METHOD FOR THE SYNTHESIS OF 18F-LABELLED BIOMOLECULES GE Healthcare UK Limited (GB) 2014-08-20 EP disclosed
EP-2766325-A1 METHOD FOR THE SYNTHESIS OF 18F-LABELLED BIOMOLECULES GE Healthcare UK Limited (GB) 2014-08-20 EP disclosed
WO-2013053940-A1 METHOD FOR THE SYNTHESIS OF 18F-LABELLED BIOMOLECULES GE HEALTHCARE LIMITED (GB) 2013-04-18 WO disclosed
WO-2013053941-A1 METHOD FOR THE SYNTHESIS OF 18F-LABELLED BIOMOLECULES GE HEALTHCARE LIMITED (GB) 2013-04-18 WO disclosed
WO-2004039371-A2 COMPOSITIONS OF CYCLOOXYGENASE-2 SELECTIVE INHIBITORS AND NMDA RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF NEUROPATHIC PAIN PHARMACIA CORPORATION (US) 2004-05-13 WO disclosed