SCHEMBL11255797

SCHEMBL11255797

CCN(Cc1cc(C(=O)OCCOC(C)=O)cc(Br)c1N)C1CCCC1.Clc1cccc(Cl)c1Nc1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TP53 P04637 2/20 0.31
▸ ABCB11 O95342 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ AR P10275 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ PDE4A P27815 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ RAC1 P63000 1/20 0.31
▸ TIAM1 Q13009 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
SCHEMBL11262419 0.99 MEN1 (0.33) KMT2AMEN1KDM4EALDH1A1TP53
SCHEMBL11252916 0.99 MEN1 (0.33) KMT2AMEN1KDM4EALDH1A1TP53
SCHEMBL11262177 0.96 TP53 (0.32) KMT2AMEN1KDM4EALDH1A1TP53
SCHEMBL11256440 0.96 TP53 (0.32) KMT2AMEN1KDM4EALDH1A1TP53
SCHEMBL11266996 0.96 TP53 (0.32) KMT2AMEN1KDM4EALDH1A1TP53
SCHEMBL11264418 0.96 TP53 (0.32) KMT2AMEN1KDM4EALDH1A1TP53
SCHEMBL11269492 0.96 TP53 (0.32) KMT2AMEN1KDM4EALDH1A1TP53
SCHEMBL11273749 0.96 TP53 (0.32) KMT2AMEN1KDM4EALDH1A1TP53
SCHEMBL11257358 0.96 TP53 (0.32) KMT2AMEN1KDM4EALDH1A1TP53
SCHEMBL11267380 0.96 TP53 (0.32) KMT2AMEN1KDM4EALDH1A1TP53

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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