SCHEMBL2171633

SCHEMBL2171633

CS(=O)(=O)c1ncc(CCN)s1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 11/20 0.38
LOX P28300 6/20 0.38
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA5A P35218 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
HRH1 P35367 2/20 0.32
HRH4 Q9H3N8 2/20 0.32
LOXL3 P58215 1/20 0.31
HRH2 P25021 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
FDPS P14324 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 SCHEMBL1419347 0.92 LOXL2 (0.38) LOXL2LOXFDPS
SCHEMBL3123975 0.85 LOXL2 (0.50) LOXL2LOXLOXL3
SCHEMBL1419723 0.84 FDPS (0.42) LOXL2LOXFDPS
SCHEMBL10863486 0.82 LOXL2 (0.35) LOXL2LOXCA1CA2CA4
SCHEMBL3126373 0.80 ALDH1A1 (0.33) LOXL2LOXHRH2
SCHEMBL3121233 0.78 LOXL2 (0.33) LOXL2LOX
SCHEMBL7993752 0.78 LOXL2 (0.34) LOXL2LOXCA1CA2CA4
Hydrochloric Acid SCHEMBL1870823 0.77 FDPS (0.34) LOXL2HRH4HRH3FDPS
SCHEMBL1419367 0.74 SMN1; SMN2 (0.36) LOXL2LOX
SCHEMBL26064714 0.71 CA2 (0.41) LOXL2LOXCA1CA2CA4

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-2346868-A1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-27 EP disclosed
WO-2010036632-A1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO disclosed