SCHEMBL11684391

SCHEMBL11684391

CCc1cccc2nsc(N)c12.Cc1ccc2nsc(N)c2c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.37
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
TYMS P04818 1/20 0.33
KDM4E B2RXH2 3/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ATP4A P20648 1/20 0.31
ATP4B P51164 1/20 0.31
NQO2 P16083 1/20 0.31
DHFR P00374 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 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
SCHEMBL9722741 0.80 MAPT (0.43) ELANELMNATP53TYMSKDM4E
SCHEMBL11420639 0.67 ACHE (0.39) LMNATP53KDM4ETDP1NQO2
SCHEMBL5040647 0.64 LMNA (0.39) ELANELMNAKDM4ETDP1L3MBTL1
SCHEMBL15257485 0.63 LMNA (0.41) ELANELMNAKDM4ETDP1L3MBTL1
SCHEMBL10943121 0.61 SLC2A1 (0.45) TP53KDM4EL3MBTL1DHFRALDH1A1
SCHEMBL9722749 0.61 G6PD (0.41) LMNAKDM4EDHFRALDH1A1HSD17B10
SCHEMBL9722807 0.61 HTT (0.44) TYMS
SCHEMBL14185473 0.61 LMNA (0.39) ELANELMNAKDM4ETDP1L3MBTL1
SCHEMBL9722805 0.61 NR4A2 (0.47) LMNATYMSKDM4EMAPK1ALDH1A1
SCHEMBL9722771 0.61 BACE1 (0.40) TYMSKDM4EL3MBTL1ALDH1A1HSD17B10

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-4001203-A Heavy metal complexes of azo dyestuffs containing a heterocyclic diazo component and the residue of 5-halogeno-2,3-dihydrozypyridine as coupling component CIBA-GEIGY AG (CH) 1977-01-04 US disclosed