SCHEMBL28620401

SCHEMBL28620401

O=C(/C=C/c1ccc(F)cc1)N1CCN(c2nc(-c3ccc4ccccc4c3)no2)CC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GPR183 P32249 10/20 0.55
▸ ALDH1A1 P00352 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ TP53 P04637 2/20 0.48
▸ KMT2A Q03164 1/20 0.45
▸ KCNH2 Q12809 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ MAPT P10636 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL28634881 0.92 GAA (0.48) GPR183LMNATP53KMT2AMAPT
SCHEMBL28617767 0.91 L3MBTL1 (0.55) GPR183ALDH1A1LMNATP53KMT2A
SCHEMBL28616300 0.91 GPR183 (0.51) GPR183ALDH1A1LMNATP53KCNH2
SCHEMBL28620396 0.91 LMNA (0.48) GPR183LMNATP53KCNH2HDAC1
SCHEMBL28617479 0.90 STAT3 (0.52) GPR183ALDH1A1LMNATP53KMT2A
SCHEMBL28633212 0.87 ALDH1A1 (0.53) GPR183ALDH1A1LMNAMAPT
SCHEMBL28620945 0.87 GPR183 (0.50) GPR183MAPTNPC1RAB9A
SCHEMBL28617647 0.87 CCNC (0.48) GPR183ALDH1A1LMNATP53KMT2A
SCHEMBL28615982 0.87 MAPT (0.52) GPR183ALDH1A1LMNATP53KMT2A
SCHEMBL28627421 0.85 L3MBTL1 (0.54) ALDH1A1LMNAKMT2AMAPTTHRB

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
CN-108440440-B Naphthalene ring-containing 1,2, 4-oxadiazole-cinnamoyl piperazine compound and preparation method and application thereof 贵州医科大学 2021-07-13 — — CN disclosed
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