SCHEMBL7685639

SCHEMBL7685639

COC(=O)c1c(Br)ccc(C)c1NC(=O)c1ccc(C)nc1C(=O)NCC(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 4/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
F2 P00734 1/20 0.32
MAPT P10636 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
CYP2C9 P11712 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL7685456 0.88 TSHR (0.39) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL7685879 0.88 MAPT (0.34) ALDH1A1KDM4EKMT2AHPGDL3MBTL1
SCHEMBL7679294 0.87 ALDH1A1 (0.34) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL7676272 0.85 ALDH1A1 (0.35) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL7682616 0.85 ALDH1A1 (0.39) ALDH1A1KDM4ESMN1; SMN2TP53HPGD
SCHEMBL7684146 0.85 MAPT (0.35) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL7686030 0.85 PTGS2 (0.35) ALDH1A1KDM4EKMT2AMEN1HPGD
SCHEMBL7675254 0.85 POLB (0.39) KMT2AMEN1CYP2C9CNR2POLB
SCHEMBL7679448 0.79 SMN1; SMN2 (0.33) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL7684725 0.79 TSHR (0.38) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1

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-6472349-B1 Pyridine-2,3-dicarboxylic acid diamides BASF AKTIENGESELLSCHAFT (DE) 2002-10-29 US claimed