SCHEMBL29138003

SCHEMBL29138003

N=C(N)NOC(=O)C=Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
LMNA P02545 3/20 0.50
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HDAC3 O15379 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
PLIN1 O60240 2/20 0.50
RECQL P46063 2/20 0.50
PLIN5 Q00G26 2/20 0.50
ABHD5 Q8WTS1 2/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL27351526 1.00 MAPT (0.54) MAPTRAB9ANPC1NFKB1NFKB2
SCHEMBL29092879 0.83 GLA (0.56) MAPTRAB9ANPC1NFKB1NFKB2
SCHEMBL28968012 0.83 GLA (0.56) MAPTRAB9ANPC1NFKB1NFKB2
Hydrochloric Acid SCHEMBL7159043 0.81 MEN1 (0.51) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL5809632 0.79 LMNA (0.50) MAPTRAB9ANPC1NFKB1NFKB2
SCHEMBL1070871 0.79 GLA (0.55) MAPTRAB9ANPC1NFKB1NFKB2
SCHEMBL1949533 0.77 HTT (0.70) MAPTRAB9ANPC1LMNAALDH1A1
SCHEMBL21249070 0.77 KMT2A (0.54) MAPTRAB9ANPC1NFKB1NFKB2
SCHEMBL1949534 0.77 HTT (0.70) MAPTRAB9ANPC1LMNAALDH1A1
SCHEMBL28013948 0.77 MAPT (0.58) MAPTRAB9ANPC1NFKB1NFKB2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115322157-B Letermopevir intermediate compound, preparation method and application thereof 浙江车头制药股份有限公司 2023-12-05 CN disclosed
CN-115322157-A Letemovir intermediate compound and preparation method and application thereof 浙江车头制药股份有限公司 2022-11-11 CN disclosed