SCHEMBL28617647

SCHEMBL28617647

O=C(/C=C/c1ccccc1F)N1CCN(c2nc(-c3ccc4ccccc4c3)no2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 2/20 0.48
▸ CDK8 P49336 2/20 0.48
▸ LMNA P02545 7/20 0.47
▸ MAPT P10636 7/20 0.47
▸ TP53 P04637 3/20 0.47
▸ THRB P10828 1/20 0.47
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ GPR183 P32249 2/20 0.43
▸ KDM4E B2RXH2 3/20 0.42
▸ HTT P42858 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ FAAH O00519 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ NR1H4 Q96RI1 1/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL28619727 0.89 CCNC (0.46) CCNCCDK8LMNAMAPTTP53
SCHEMBL28620401 0.87 GPR183 (0.55) LMNAMAPTTP53THRBKMT2A
SCHEMBL28634881 0.86 GAA (0.48) CCNCCDK8LMNAMAPTTP53
SCHEMBL28617767 0.85 L3MBTL1 (0.55) CCNCCDK8LMNAMAPTTP53
SCHEMBL28630175 0.84 SMN1; SMN2 (0.51) CCNCCDK8LMNAMAPTTHRB
SCHEMBL28620396 0.83 LMNA (0.48) CCNCCDK8LMNAMAPTTP53
SCHEMBL28616300 0.83 GPR183 (0.51) LMNATP53GPR183ALDH1A1SMN1; SMN2
SCHEMBL28617479 0.83 STAT3 (0.52) CCNCCDK8LMNAMAPTTP53
SCHEMBL28620716 0.81 MAPT (0.45) CCNCCDK8LMNAMAPTTP53
SCHEMBL28617649 0.81 LMNA (0.48) CCNCCDK8LMNAMAPTTP53

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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