SCHEMBL11261972

SCHEMBL11261972

CC(=O)OCCCCCOC(=O)c1cc(Br)c(N)c(CN(C)C)c1.Clc1cccc(Cl)c1Nc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA3 P07451 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA6 P23280 1/20 0.33
▸ CA5A P35218 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA13 Q8N1Q1 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ CA5B Q9Y2D0 1/20 0.33
▸ ESR1 P03372 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ HPGD P15428 2/20 0.32
▸ GAA P10253 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
SCHEMBL11268609 0.99 MAPT (0.35) TP53MAPTSMN1; SMN2HDAC6CA12
SCHEMBL11260654 0.96 HPGD (0.33) TP53MAPTSMN1; SMN2HDAC6CA12
SCHEMBL11263417 0.92 SMN1; SMN2 (0.37) TP53MAPTSMN1; SMN2HPGDLMNA
SCHEMBL11261658 0.92 TP53 (0.37) TP53MAPTSMN1; SMN2HDAC6CA12
SCHEMBL11271775 0.92 TP53 (0.37) TP53MAPTSMN1; SMN2HDAC6CA12
SCHEMBL11255511 0.91 SMN1; SMN2 (0.36) TP53MAPTSMN1; SMN2HDAC6ESR1
SCHEMBL11259692 0.91 SMN1; SMN2 (0.37) TP53MAPTSMN1; SMN2HPGDLMNA
SCHEMBL11271896 0.91 TP53 (0.38) TP53MAPTSMN1; SMN2HDAC6CA12
SCHEMBL11266953 0.90 SMN1; SMN2 (0.36) TP53MAPTSMN1; SMN2ESR1HPGD
SCHEMBL11265476 0.89 TP53 (0.38) TP53MAPTSMN1; SMN2HDAC6CA12

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-4362738-A ANTIINFLAMMATORIES DR. KARL THOMAE GMBH (DE) 1982-12-07 — — US disclosed
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