SCHEMBL7675028

SCHEMBL7675028

CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc2c3cccc4c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)ccc(c5ccc(C(N)=O)c1c52)c43

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ BACE1 P56817 1/20 0.34
▸ PDE4B Q07343 1/20 0.33
▸ AURKA O14965 3/20 0.33
▸ RPS6KB1 P23443 3/20 0.33
▸ KCNK3 O14649 2/20 0.32
▸ KCNK9 Q9NPC2 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL8654771 0.83 KMT2A (0.51) LMNAKMT2APDE4BKCNK3KCNK9
SCHEMBL28848988 0.80 KMT2A (0.46) LMNAKMT2APDE4BAURKARPS6KB1
SCHEMBL17937998 0.79 LPAR1 (0.38) LMNAKMT2APDE4BRPS6KB1KCNK3
SCHEMBL1566660 0.78 KMT2A (0.44) LMNAKMT2APDE4BSMN1; SMN2
SCHEMBL13585884 0.75 CNR1 (0.35) —
SCHEMBL27993734 0.75 KMT2A (0.44) LMNAKMT2A
SCHEMBL29824483 0.73 KMT2A (0.56) LMNAKMT2ASMN1; SMN2
SCHEMBL7168499 0.73 KMT2A (0.56) LMNAKMT2ASMN1; SMN2
SCHEMBL5415818 0.72 KMT2A (0.44) LMNAKMT2ASMN1; SMN2
SCHEMBL7649605 0.71 ANPEP (0.43) LMNAKMT2A

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
US-6486319-B1 Thermochromic rylene dyes BASF AKTIENGESELLSCHAFT (DE) 2002-11-26 — — US disclosed
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