SCHEMBL6233888

SCHEMBL6233888

CN(c1nc(Nc2cccc(OCCl)c2)nc(NC2CCCCCC2)n1)C1CC[N+](C)(COP(=O)(O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GALR2 O43603 3/20 0.38
GALR1 P47211 3/20 0.38
CTSL P07711 4/20 0.37
CTSS P25774 4/20 0.37
CTSK P43235 4/20 0.37
CTSV O60911 1/20 0.37
PLAT P00750 1/20 0.37
CTSH P09668 1/20 0.37
CASP14 P31944 1/20 0.37
CASP6 P55212 1/20 0.37
CTSZ Q9UBR2 1/20 0.37
CTSB P07858 2/20 0.36
MAP2K7 O14733 1/20 0.34

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
SCHEMBL5032423 0.83 BCL6 (0.44) GALR2GALR1CTSLCTSSCTSK
SCHEMBL5030764 0.82 GALR1 (0.40) GALR2GALR1CTSLCTSSCTSK
Hydrochloric Acid SCHEMBL4838629 0.81 GALR1 (0.39) GALR2GALR1CTSLCTSSCTSK
SCHEMBL4840203 0.81 IDH2 (0.49) GALR2GALR1CTSLCTSSCTSK
SCHEMBL6233894 0.77 AURKA (0.33) CTSLCTSSCTSKCTSVPLAT
SCHEMBL4829410 0.73 IDH2 (0.49) GALR2GALR1CTSLCTSSCTSK
Hydrochloric Acid SCHEMBL5554300 0.71 IDH2 (0.48) GALR2GALR1CTSLCTSSCTSK
SCHEMBL4870097 0.71 BCL6 (0.42)
Hydrochloric Acid SCHEMBL5431369 0.71 IDH2 (0.47) GALR2GALR1CTSLCTSSCTSK
SCHEMBL4838644 0.70 IDH2 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1560817-A1 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS Reddy US Therapeutics, Inc. (US) 2005-08-10 EP claimed
WO-2004026844-A1 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS, INC. (US) 2004-04-01 WO claimed