SCHEMBL3459033

SCHEMBL3459033

COc1cc(CBr)ccc1OCc1ccccc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.58
GAA P10253 2/20 0.57
ALDH1A1 P00352 2/20 0.57
MAPT P10636 2/20 0.57
HTT P42858 2/20 0.57
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
ABCB1 P08183 4/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
HTR1A P08908 1/20 0.49
ADRA1D P25100 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.49
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL7946340 0.86 RAB9A (0.58) RAB9AGAAALDH1A1MAPTHTT
SCHEMBL3411267 0.86 RAB9A (0.60) RAB9AGAAALDH1A1MAPTHTT
SCHEMBL3457369 0.84 KMT2A (0.60) RAB9AGAAALDH1A1MAPTHTT
SCHEMBL3458248 0.82 ABCB1 (0.48) RAB9AGAAALDH1A1MAPTHTT
SCHEMBL3232932 0.82 MEN1 (0.64) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL13929792 0.82 L3MBTL1 (0.60) RAB9AGAAALDH1A1MAPTHTT
SCHEMBL31388315 0.82 MEN1 (0.64) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL1233601 0.78 SLC22A12 (0.59) ALDH1A1HTTKMT2AABCB1ABCG2
SCHEMBL19237513 0.77 RAB9A (0.49) RAB9AGAAALDH1A1MAPTHTT
SCHEMBL28654555 0.76 RAB9A (0.66) RAB9AGAAALDH1A1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010010435-A2 FUSED OXAZOLE AND THIAZOLE DERIVATIVES AS TRPMS MODULATORS GLENMARK PHARMACEUTICAL S.A. (CH) 2010-01-28 WO disclosed