SCHEMBL6254576

SCHEMBL6254576

COC(=O)c1ccc(CNCCN(S(C)(=O)=O)S(C)(=O)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.50
LMNA P02545 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 1/20 0.46
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
POLB P06746 2/20 0.43
CYP4A11 Q02928 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
CA12 O43570 2/20 0.43
MAPT P10636 1/20 0.43
HTR6 P50406 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CYP4F2 P78329 1/20 0.42
AR P10275 1/20 0.42
CA7 P43166 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL5065491 0.82 HPGD (0.55) HPGDLMNALOXL2NPC1RAB9A
SCHEMBL3310683 0.82 LMNA (0.64) HPGDLMNALOXL2NPC1RAB9A
SCHEMBL9016956 0.78 LMNA (0.68) HPGDLMNALOXL2NPC1RAB9A
SCHEMBL13378249 0.77 LMNA (0.59) HPGDLMNALOXL2NPC1RAB9A
SCHEMBL28206352 0.77 CYP4A11 (0.60) HPGDLMNALOXL2NPC1RAB9A
SCHEMBL15270528 0.77 CYP4A11 (0.53) HPGDLMNALOXL2NPC1RAB9A
Hydrochloric Acid SCHEMBL15393160 0.77 LMNA (0.66) HPGDLMNALOXL2NPC1RAB9A
Hydrochloric Acid SCHEMBL16507466 0.76 LMNA (0.57) HPGDLMNALOXL2NPC1RAB9A
SCHEMBL15270773 0.76 LMNA (0.57) HPGDLMNALOXL2NPC1RAB9A
SCHEMBL7249257 0.76 LOXL2 (0.64) HPGDLMNALOXL2NPC1RAB9A

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-1585481-A2 PYRAZOLOPYRIMIDINE COMPOUND AND PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 2005-10-19 EP disclosed
WO-2004064721-A2 A PYRAZOLOPYRIMIDINE COMPOUND AND A PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 2004-08-05 WO disclosed