SCHEMBL8218498

SCHEMBL8218498

Cn1ccc2c(C(=O)N3CCC(=NOC(c4ccc(F)cc4)c4ccc(F)cc4)CC3)cccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.40
▸ HSD11B1 P28845 4/20 0.37
▸ GFER P55789 1/20 0.36
▸ TUBB4A P04350 1/20 0.36
▸ TUBB P07437 1/20 0.36
▸ TUBA3C P0DPH7 1/20 0.36
▸ TUBA1B P68363 1/20 0.36
▸ TUBA4A P68366 1/20 0.36
▸ TUBB4B P68371 1/20 0.36
▸ TUBB3 Q13509 1/20 0.36
▸ TUBB2A Q13885 1/20 0.36
▸ TUBB8 Q3ZCM7 1/20 0.36
▸ TUBA3E Q6PEY2 1/20 0.36
▸ TUBA1A Q71U36 1/20 0.36
▸ TUBA1C Q9BQE3 1/20 0.36
▸ TUBB6 Q9BUF5 1/20 0.36
▸ TUBB2B Q9BVA1 1/20 0.36
▸ TUBB1 Q9H4B7 1/20 0.36
▸ RHEB Q15382 1/20 0.34
▸ USP2 O75604 1/20 0.34

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
SCHEMBL4380325 0.79 L3MBTL1 (0.35) RHEBSMN1; SMN2HTR2ALMNAKMT2A
SCHEMBL13589018 0.76 MEN1 (0.38) RHEBSMN1; SMN2LMNAKMT2AALDH1A1
SCHEMBL20058392 0.70 ALDH1A1 (0.52) MGLLHSD11B1SMN1; SMN2HDAC1KMT2A
SCHEMBL4380553 0.66 OPRM1 (0.46) MAPK1SMN1; SMN2HTR2ALMNAKMT2A
SCHEMBL4386137 0.64 GAA (0.53) SMN1; SMN2LMNAKMT2AALDH1A1POLB
SCHEMBL3923460 0.64 TUBB4A (0.54) MGLLTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4390159 0.64 MEN1 (0.49) SMN1; SMN2LMNAKMT2AALDH1A1HTT
SCHEMBL4393044 0.63 S1PR2 (0.50) USP2SMN1; SMN2KMT2A
SCHEMBL4381279 0.63 PKM (0.49) LMNAKMT2AALDH1A1POLB
SCHEMBL4387410 0.63 KMT2A (0.53) USP2MAPK1SMN1; SMN2LMNAKMT2A

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
WO-2008008398-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2008-01-17 — — WO disclosed
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