SCHEMBL6581102

SCHEMBL6581102

COc1ccc(Cn2nc(-c3ccc(OC)cc3)nc2-c2cccc(C=O)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 4/20 0.57
NR1H2 P55055 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
LMNA P02545 2/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
TDP1 Q9NUW8 1/20 0.46
AVPR1B P47901 8/20 0.44
MAPT P10636 1/20 0.41

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
SCHEMBL6581539 0.96 NR1H3 (0.64) NR1H3NR1H2SMN1; SMN2NPC1RAB9A
SCHEMBL6578548 0.96 NR1H3 (0.64) NR1H3NR1H2SMN1; SMN2NPC1RAB9A
SCHEMBL6581357 0.95 NR1H3 (0.53) NR1H3NR1H2SMN1; SMN2NPC1RAB9A
SCHEMBL6582468 0.94 NR1H3 (0.53) NR1H3NR1H2SMN1; SMN2NPC1RAB9A
SCHEMBL6582476 0.93 NR1H3 (0.60) NR1H3NR1H2SMN1; SMN2NPC1RAB9A
SCHEMBL6581091 0.92 NR1H3 (0.71) NR1H3NR1H2SMN1; SMN2NPC1RAB9A
SCHEMBL6583641 0.91 NR1H3 (0.58) NR1H3NR1H2SMN1; SMN2NPC1RAB9A
SCHEMBL6578522 0.90 NR1H3 (0.59) NR1H3NR1H2SMN1; SMN2NPC1RAB9A
SCHEMBL6582803 0.89 NR1H3 (0.51) NR1H3NR1H2SMN1; SMN2NPC1RAB9A
SCHEMBL6580805 0.89 TGM2 (0.51) NR1H3NR1H2SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1070708-B1 Triazole derivatives HOFFMANN LA ROCHE (CH) 2004-01-14 EP disclosed
US-6265426-B1 CENTRAL NERVOUS SYSTEM DISORDERS HOFFMANN-LA ROCHE INC. 2001-07-24 US disclosed
EP-1070708-A1 Triazole and imidazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2001-01-24 EP disclosed