SCHEMBL6120101

SCHEMBL6120101

COC(=O)c1cc(C)cc(C(F)(F)F)c1Br

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.49
▸ CFTR P13569 6/20 0.47
▸ SOS1 Q07889 1/20 0.44
▸ HTT P42858 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MAPT P10636 3/20 0.37
▸ XDH P47989 1/20 0.37
▸ CYP46A1 Q9Y6A2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ GAA P10253 2/20 0.37
▸ POLB P06746 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ TMPRSS4 Q9NRS4 1/20 0.35

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
SCHEMBL22866081 0.83 CFTR (0.52) NOTUMCFTRSOS1MAPTGAA
SCHEMBL31016073 0.83 CFTR (0.52) NOTUMCFTRSOS1MAPTGAA
SCHEMBL6119419 0.82 XDH (0.45) LMNAMAPTXDHCYP46A1GAA
SCHEMBL5509482 0.81 XDH (0.40) NOTUMCFTRSOS1MAPTXDH
SCHEMBL6119213 0.81 CFTR (0.54) NOTUMCFTRSOS1MAPTGAA
SCHEMBL6120235 0.80 NOTUM (0.46) NOTUMCFTRSOS1LMNASMN1; SMN2
SCHEMBL6119252 0.80 SOS1 (0.42) SOS1LMNAMAPTXDHCYP46A1
SCHEMBL6119249 0.78 SOS1 (0.40) NOTUMCFTRSOS1MAPTXDH
SCHEMBL22866327 0.78 NOTUM (0.43) NOTUMCFTRSOS1HTTLMNA
SCHEMBL30689784 0.78 NOTUM (0.43) NOTUMCFTRSOS1HTTLMNA

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-2012067663-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-05-24 — — WO disclosed
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