SCHEMBL10763867

SCHEMBL10763867

BrCCOc1ccc(Br)c(I)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ APP P05067 2/20 0.35
▸ MAOB P27338 2/20 0.33
▸ GPR84 Q9NQS5 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ THRA P10827 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ PDIA6 Q15084 1/20 0.31
▸ MGAM O43451 3/20 0.31
▸ GAA P10253 3/20 0.31
▸ SI P14410 3/20 0.31
▸ MGAM2 Q2M2H8 3/20 0.31

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
SCHEMBL17825436 0.83 CA12 (0.43) MAPTMAOBMAPK1THRATHRB
SCHEMBL26635479 0.83 THRA (0.45) NPC1MAPTRAB9ATHRATHRB
SCHEMBL26586960 0.81 THRA (0.33) NPC1MAPTRAB9ASMN1; SMN2MAOB
SCHEMBL26635301 0.79 THRA (0.51) THRATHRB
SCHEMBL26635406 0.79 THRA (0.51) THRATHRB
SCHEMBL6322208 0.78 NQO1 (0.50) NPC1MAPTKDM4ETDP1
SCHEMBL25261232 0.77 SMN1; SMN2 (0.49) NPC1MAPTRAB9ASMN1; SMN2MAPK1
SCHEMBL25299247 0.77 NSD2 (0.46) NPC1MAPTRAB9ASMN1; SMN2APP
SCHEMBL20556591 0.76 RARB (0.44) NPC1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL30176397 0.76 SMN1; SMN2 (0.35) MAPTSMN1; SMN2APPMAOBKDM4E

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-0228125-A1 Novel derivatives of [[4-[4-(4-phenyl-1-piperazinyl)phenoxymethyl]-1,3-dioxolan-2-yl]methyl]-1H-imidazoles and 1H-1,2,4-triazoles JANSSEN PHARMACEUTICA N.V. (BE) 1987-07-08 — — EP disclosed
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