SCHEMBL7676299

SCHEMBL7676299

CCCCNC(=O)c1nc(C)ccc1C(=O)Nc1c(C)ccc(Br)c1COC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.34
HTT P42858 2/20 0.34
ALDH1A1 P00352 5/20 0.34
LMNA P02545 3/20 0.34
MEN1 O00255 2/20 0.34
POLB P06746 2/20 0.34
KMT2A Q03164 2/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LCK P06239 2/20 0.34
HSD17B10 Q99714 3/20 0.33
HPGD P15428 2/20 0.33
GAA P10253 2/20 0.33
KDM4E B2RXH2 2/20 0.33
L3MBTL1 Q9Y468 1/20 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

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
SCHEMBL7685116 0.94 ALDH1A1 (0.34) TSHRALDH1A1MEN1POLBKMT2A
SCHEMBL7683318 0.92 PTGS2 (0.35) HTTALDH1A1LMNAMEN1POLB
SCHEMBL7677645 0.89 PTGS2 (0.40) TSHRHTTALDH1A1LMNAMEN1
SCHEMBL7676272 0.86 ALDH1A1 (0.35) HTTALDH1A1LMNAMEN1KMT2A
SCHEMBL7682616 0.86 ALDH1A1 (0.39) TSHRHTTALDH1A1LMNAPOLB
SCHEMBL7678830 0.84 PDE4A (0.33) ALDH1A1KMT2AMAPTHSD17B10HPGD
SCHEMBL7675255 0.84 CNR1 (0.40) POLB
SCHEMBL7677560 0.83 GRM5 (0.35) HTTALDH1A1LMNAMEN1KMT2A
SCHEMBL7679361 0.83 PDE4B (0.38) TSHRALDH1A1LMNAMEN1POLB
SCHEMBL7681363 0.81 PTGS2 (0.41) ALDH1A1LMNAMEN1KMT2ANPSR1

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