SCHEMBL8534870

SCHEMBL8534870

O=C(O)c1ccc([N+](=O)[O-])c(OCc2ccccc2)c1.[N-]=[N+]=N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 4/20 0.60
MAX P61244 3/20 0.60
CTSV O60911 3/20 0.48
CTSL P07711 3/20 0.48
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
AKR1C1 Q04828 1/20 0.47
CASP6 P55212 1/20 0.47
PTGER1 P34995 1/20 0.46
POLB P06746 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ABCB1 P08183 1/20 0.46
NR4A2 P43354 2/20 0.45
NR4A1 P22736 1/20 0.45
NR4A3 Q92570 1/20 0.45
MAPT P10636 2/20 0.44

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
SCHEMBL8534866 0.95 MYC (0.62) MYCMAXCTSVCTSLAKR1C3
SCHEMBL30082870 0.93 MYC (0.67) MYCMAXCTSVCTSLAKR1C3
SCHEMBL528177 0.93 MYC (0.67) MYCMAXCTSVCTSLAKR1C3
SCHEMBL23628923 0.83 MYC (0.56) MYCMAXCTSVCTSLAKR1C3
SCHEMBL9274861 0.83 MYC (0.56) MYCMAXCTSVCTSLAKR1C3
SCHEMBL27620972 0.83 MAPK1 (0.57) MYCMAXCTSVCTSLAKR1C3
SCHEMBL30049984 0.83 MYC (0.56) MYCMAXCTSVCTSLAKR1C3
SCHEMBL750245 0.82 CTSV (0.63) MYCMAXCTSVCTSLCASP6
SCHEMBL12068720 0.82 MYC (0.85) MYCMAXAKR1C3AKR1C2AKR1C1
SCHEMBL30892476 0.81 MYC (0.55) MYCMAXCTSVCTSLAKR1C3

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-5792765-A ANTIBACTERIAL COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 1998-08-11 US disclosed