SCHEMBL7678756

SCHEMBL7678756

CCCCNC(=O)c1nc(C)ccc1C(=O)Nc1c(CC)ccc(Br)c1C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.34
HPGD P15428 2/20 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
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
RXFP1 Q9HBX9 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
SCHEMBL7675233 0.94 ALDH1A1 (0.34) HTTALDH1A1LMNAL3MBTL1TSHR
SCHEMBL7679315 0.93 ALDH1A1 (0.35) HTTALDH1A1LMNAL3MBTL1HPGD
SCHEMBL7682616 0.91 ALDH1A1 (0.39) HTTALDH1A1LMNAL3MBTL1TP53
SCHEMBL7676322 0.89 HTT (0.40) HTTALDH1A1LMNAL3MBTL1TP53
SCHEMBL7679294 0.85 ALDH1A1 (0.34) HTTALDH1A1LMNAL3MBTL1TSHR
SCHEMBL7679448 0.85 SMN1; SMN2 (0.33) HTTALDH1A1LMNATSHRHPGD
SCHEMBL7679296 0.85 CNR1 (0.38) POLB
SCHEMBL7686030 0.83 PTGS2 (0.35) HTTALDH1A1LMNAL3MBTL1HPGD
SCHEMBL7684669 0.83 MAPT (0.34) HTTALDH1A1L3MBTL1TP53TSHR
SCHEMBL7683507 0.83 PDE4B (0.38) HTTALDH1A1LMNAL3MBTL1HPGD

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