SCHEMBL28384865

SCHEMBL28384865

CNc1c(C#N)cc(C#N)cc1C#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 2/20 0.38
▸ ALB P02768 2/20 0.38
▸ VCAM1 P19320 1/20 0.35
▸ LOXL2 Q9Y4K0 1/20 0.35
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ CYP2A6 P11509 1/20 0.32
▸ GPR35 Q9HC97 4/20 0.31
▸ LMNA P02545 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ TSHR P16473 1/20 0.30
▸ EGFR P00533 1/20 0.30
▸ ERBB2 P04626 1/20 0.30
▸ HDAC8 Q9BY41 1/20 0.30
▸ ROCK2 O75116 1/20 0.30
▸ ROCK1 Q13464 1/20 0.30
▸ CDC42BPA Q5VT25 1/20 0.30

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
SCHEMBL24418452 0.76 TTR (0.38) TTRALBVCAM1LOXL2MEN1
SCHEMBL10429296 0.74 TTR (0.37) TTRALBVCAM1LOXL2GPR35
SCHEMBL19354876 0.74 TTR (0.37) TTRALBVCAM1LOXL2MEN1
SCHEMBL10429291 0.74 TTR (0.52) TTRALBVCAM1LOXL2MEN1
SCHEMBL5542222 0.72 VCAM1 (0.44) TTRALBVCAM1MEN1KMT2A
SCHEMBL3679283 0.72 TTR (0.54) TTRALBVCAM1MEN1KMT2A
SCHEMBL3955231 0.72 TTR (0.42) TTRALBVCAM1MEN1KMT2A
SCHEMBL10337279 0.71 LRRK2 (0.46) TTRALBKDM4EALDH1A1GPR35
SCHEMBL28381748 0.71 LOXL2 (0.41) LOXL2KDM4EALDH1A1CYP2A6LMNA
SCHEMBL11799632 0.70 GPR35 (0.38) ALDH1A1GPR35

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-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 — — CN claimed
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 — — CN disclosed
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