SCHEMBL28534892

SCHEMBL28534892

CC(C)(C)CCC(=O)Oc1c(N)cccc1-c1ncc(Br)cn1

nearest known ligand 0.31

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 0.31
TUBB2A Q13885 1/20 0.31
TUBB8 Q3ZCM7 1/20 0.31
TUBA3E Q6PEY2 1/20 0.31
TUBA1A Q71U36 1/20 0.31
TUBA1C Q9BQE3 1/20 0.31
TUBB6 Q9BUF5 1/20 0.31
TUBB2B Q9BVA1 1/20 0.31
TUBB1 Q9H4B7 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL16295016 0.79 RARB (0.43)
SCHEMBL15092118 0.77 NPC1 (0.45)
SCHEMBL15018821 0.75 CHEK1 (0.35)
SCHEMBL25319984 0.74 KMT2A (0.33) KMT2A
SCHEMBL25320420 0.74 KMT2A (0.37) KMT2A
SCHEMBL26983724 0.73 ALOX5AP (0.38) MEN1KMT2A
SCHEMBL25322244 0.73 SMN1; SMN2 (0.41) MEN1KMT2A
SCHEMBL25322639 0.71 NAMPT (0.37)
Hydrochloric Acid SCHEMBL28408986 0.71 KCNH2 (0.33) MEN1KMT2A
SCHEMBL28392673 0.66 KMT2A (0.35) KMT2A

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-107074820-B GLP-1 receptor modulators 赛尔基因第二国际有限公司 2021-05-18 CN disclosed
CN-112457301-A Novel GLP-1 receptor modulators 赛尔基因第二国际有限公司 2021-03-09 CN disclosed