SCHEMBL28811466

SCHEMBL28811466

CC1CCCCC(n2ccc(F)c2F)CC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ LMNA P02545 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ TOP2A P11388 4/20 0.30
▸ TOP2B Q02880 4/20 0.30
▸ CYP11B2 P19099 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
SCHEMBL28810629 0.72 DHODH (0.32) —
SCHEMBL28810704 0.71 LMNA (0.35) ABCB1POLBLMNAMEN1KMT2A
SCHEMBL28810667 0.70 LMNA (0.32) ABCB1LMNATP53NPSR1
SCHEMBL15520368 0.68 SCD (0.47) ABCB1LMNAMEN1KMT2ANPSR1
SCHEMBL27266898 0.68 SCD (0.47) ABCB1LMNAMEN1KMT2ANPSR1
SCHEMBL16821913 0.67 TOP2A (0.33) MEN1KMT2ATOP2ATOP2B
SCHEMBL15520260 0.65 SCD (0.49) CYP11B2
SCHEMBL28811470 0.64 LMNA (0.38) LMNATP53NPSR1
SCHEMBL8339813 0.63 MEN1 (0.40) POLBMEN1KMT2ACYP11B2
SCHEMBL8269036 0.63 MEN1 (0.40) POLBMEN1KMT2ACYP11B2

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-114746090-A Azaindole carboxamide compounds for the treatment of mycobacterial infections 结核病药物开发全球联盟公司 2022-07-12 — — CN disclosed
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