SCHEMBL6157962

SCHEMBL6157962

Cc1ccc2c(c1)N(O)C(O)=C(O)N2O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TRPA1 O75762 2/20 0.41
TP53 P04637 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
AADAT Q8N5Z0 2/20 0.39
HSD17B10 Q99714 3/20 0.37
ALOX15 P16050 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
KMT2A Q03164 1/20 0.35
ACHE P22303 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2A6 P11509 2/20 0.35
CA2 P00918 1/20 0.34

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
SCHEMBL17339860 0.65 TERT (0.41) LMNANPC1RAB9ATRPA1TP53
SCHEMBL4624622 0.65 TERT (0.41) LMNANPC1RAB9ATRPA1TP53
SCHEMBL9067561 0.62 TLR9 (0.54) LMNATDP1HSD17B10ALDH1A1MEN1
SCHEMBL17867050 0.62 MGLL (0.54) LMNATDP1HSD17B10ALDH1A1MEN1
SCHEMBL25137403 0.61 HTT (0.41) LMNANPC1RAB9ATRPA1TP53
SCHEMBL5022141 0.60 NOTUM (0.43) LMNATDP1AADATHSD17B10ALOX15
SCHEMBL19908750 0.60 HSD17B10 (0.41) LMNATDP1HSD17B10ALOX15ALDH1A1
SCHEMBL20888626 0.60 HSD17B10 (0.36) AADATHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL12901940 0.60 MAOA (0.43) LMNANPC1RAB9ATDP1HSD17B10
SCHEMBL25137415 0.60 MEN1 (0.43) LMNANPC1RAB9AALDH1A1MEN1

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
EP-1218344-B1 OXIDATION COLORANT STARTING PRODUCTS HENKEL KGAA (DE) 2005-08-17 EP claimed