SCHEMBL11255511

SCHEMBL11255511

CCCN(C)Cc1cc(C(=O)OCCCCCOC(C)=O)cc(Br)c1N.Clc1cccc(Cl)c1Nc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CNR2 P34972 1/20 0.35
▸ ESR1 P03372 3/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ GPR35 Q9HC97 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ HPGD P15428 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MOK Q9UQ07 1/20 0.32
▸ EGFR P00533 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
SCHEMBL11266953 0.99 SMN1; SMN2 (0.36) SMN1; SMN2MAPTTP53CNR2ESR1
SCHEMBL11263417 0.92 SMN1; SMN2 (0.37) SMN1; SMN2MAPTTP53HPGDLMNA
SCHEMBL11261972 0.91 TP53 (0.35) SMN1; SMN2MAPTTP53CNR2ESR1
SCHEMBL11259692 0.91 SMN1; SMN2 (0.37) SMN1; SMN2MAPTTP53HPGDLMNA
SCHEMBL11268609 0.90 MAPT (0.35) SMN1; SMN2MAPTTP53CNR2ESR1
SCHEMBL11261658 0.90 TP53 (0.37) SMN1; SMN2MAPTTP53CNR2ESR1
SCHEMBL11271775 0.90 TP53 (0.37) SMN1; SMN2MAPTTP53CNR2ESR1
SCHEMBL11271896 0.89 TP53 (0.38) SMN1; SMN2MAPTTP53CNR2ESR1
SCHEMBL11265476 0.87 TP53 (0.38) SMN1; SMN2MAPTTP53ESR1MEN1
SCHEMBL11264372 0.87 DRD2 (0.34) SMN1; SMN2MAPTTP53ESR1HPGD

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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