SCHEMBL18829052

SCHEMBL18829052

Brc1ccc(-c2c[nH]c(PI)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 1/20 0.38
▸ NPC1 O15118 5/20 0.36
▸ RAB9A P51151 5/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ MAPT P10636 4/20 0.36
▸ AGTR1 P30556 1/20 0.36
▸ KDM4E B2RXH2 4/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ GAA P10253 3/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ XDH P47989 1/20 0.35
▸ LMNA P02545 1/20 0.33
▸ APP P05067 2/20 0.33
▸ BCHE P06276 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ GSK3B P49841 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
SCHEMBL15396022 0.82 NPC1 (0.40) METAP2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL22364558 0.79 XDH (0.36) METAP2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL24484639 0.72 RAB9A (0.47) METAP2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL5924343 0.72 MAPT (0.47) METAP2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL15396034 0.69 PDGFRB (0.31) —
SCHEMBL16428799 0.68 ADRA2A (0.42) METAP2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL8744752 0.68 ERBB2 (0.41) METAP2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL7139439 0.68 DGAT1 (0.51) NPC1RAB9ASMN1; SMN2MAPTAGTR1
SCHEMBL15331765 0.68 MCL1 (0.39) METAP2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2617474 0.68 NPC1 (0.40) METAP2NPC1RAB9ASMN1; SMN2MAPT

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
EP-2640719-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2017-05-10 — — EP disclosed
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