SCHEMBL3264005

SCHEMBL3264005

CCOc1n[nH]cc1-c1ccc(Br)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ LRRK2 Q5S007 1/20 0.33
▸ XDH P47989 1/20 0.33
▸ PLK4 O00444 1/20 0.33
▸ AURKA O14965 1/20 0.33

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
SCHEMBL3261016 0.83 KDM4E (0.43) SMN1; SMN2HPGDSIRT2MAPTTDP1
SCHEMBL3263121 0.83 MAPK1 (0.43) SMN1; SMN2HPGDMAPTNPC1RAB9A
SCHEMBL1386549 0.78 LMNA (0.43) ALDH1A1LMNAL3MBTL1PTGES
SCHEMBL1978092 0.73 SMN1; SMN2 (0.43) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL2388472 0.72 — —
SCHEMBL3263304 0.72 IKBKB (0.41) SMN1; SMN2HPGDMAPTTDP1NPC1
SCHEMBL27791447 0.71 SLC22A12 (0.36) SIRT2MAPTTP53KMT2AL3MBTL1
SCHEMBL1384288 0.69 KMT2A (0.38) SMN1; SMN2HPGDMAPTNPC1RAB9A
SCHEMBL19656316 0.69 MAPT (0.41) SMN1; SMN2HPGDMAPTNPC1RAB9A
SCHEMBL3639047 0.69 NPC1 (0.36) SMN1; SMN2MAPTNPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010015656-A2 NEW ALKOXYPYRAZOLES INSTITUT PASTEUR (FR) 2010-02-11 — — WO disclosed
WO-2010015656-A2 NEW ALKOXYPYRAZOLES INSTITUT PASTEUR (FR) 2010-02-11 — — WO disclosed
EP-2151434-A1 Alkoxypyrazoles and the process for their preparation Institut Pasteur (FR) 2010-02-10 — — EP disclosed
EP-2151434-A1 Alkoxypyrazoles and the process for their preparation Institut Pasteur (FR) 2010-02-10 — — EP disclosed
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