SCHEMBL11266996

SCHEMBL11266996

CCN(Cc1cc(C(=O)OCCCOC(C)=O)cc(Br)c1N)C1CCCCC1.Clc1cccc(Cl)c1Nc1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ ABCB11 O95342 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ AR P10275 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ PDE4A P27815 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ LMNA P02545 2/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ HTT P42858 1/20 0.31

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
SCHEMBL11262177 0.99 TP53 (0.32) TP53SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL11256440 0.99 TP53 (0.32) TP53SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL11264418 0.98 TP53 (0.32) TP53SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL11257358 0.98 TP53 (0.32) TP53SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL11273902 0.98 TP53 (0.32) TP53SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL11263429 0.98 TP53 (0.32) TP53SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL11269492 0.98 TP53 (0.32) TP53SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL11273749 0.98 TP53 (0.32) TP53SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL11267380 0.98 TP53 (0.32) TP53SMN1; SMN2MAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL11255557 0.97 LMNA (0.32) TP53SMN1; SMN2MAPTKMT2AMEN1

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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