SCHEMBL26104565

SCHEMBL26104565

CCCC1(CCC)c2cc(Br)ccc2-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP2 O95551 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
SCHEMBL29376474 1.00 PDK2 (0.33) PDK2ALDH1A1MAPK1MEN1KMT2A
SCHEMBL22770737 0.93 MEN1 (0.34) PDK2ALDH1A1MAPK1MEN1KMT2A
SCHEMBL30682534 0.93 MEN1 (0.34) PDK2ALDH1A1MAPK1MEN1KMT2A
SCHEMBL20051796 0.92 PDK2 (0.37) PDK2ALDH1A1TDP2
SCHEMBL20989880 0.92 PDK2 (0.37) PDK2ALDH1A1TDP2
SCHEMBL27918584 0.91 PDK2 (0.35) PDK2ALDH1A1MEN1KMT2A
SCHEMBL5109620 0.90 MMP2 (0.34) PDK2MEN1KMT2A
SCHEMBL16556475 0.89 MEN1 (0.33) PDK2MEN1KMT2A
SCHEMBL10013960 0.86 MMP2 (0.35) PDK2ALDH1A1MAPK1
SCHEMBL15774245 0.86 PDK2 (0.35) PDK2MAPK1MEN1KMT2ATDP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023070700-A1 COMPOUND USING FLUORENE AS CORE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 青岛科技大学 2023-05-04 WO claimed
WO-2023070700-A1 COMPOUND USING FLUORENE AS CORE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 青岛科技大学 2023-05-04 WO disclosed
WO-2023070700-A1 COMPOUND USING FLUORENE AS CORE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 青岛科技大学 2023-05-04 WO disclosed