SCHEMBL11543503

SCHEMBL11543503

Cc1ccc2oc([N+](=O)[O-])c(-c3ccccc3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
MAPT P10636 6/20 0.50
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 4/20 0.50
HPGD P15428 3/20 0.50
TP53 P04637 2/20 0.50
CYP3A4 P08684 2/20 0.50
HSD17B10 Q99714 2/20 0.50
HNF4A P41235 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPK1 P28482 2/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAOB P27338 4/20 0.41
HPRT1 P00492 1/20 0.41

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
SCHEMBL11548743 0.91 MAPT (0.48) L3MBTL1MAPTKDM4EALDH1A1HPGD
SCHEMBL11547876 0.89 HNF4A (0.43) L3MBTL1MAPTKDM4EALDH1A1HPGD
Thioglycolic Acid SCHEMBL11425045 0.87 L3MBTL1 (0.49) L3MBTL1MAPTKDM4EALDH1A1HPGD
SCHEMBL10755663 0.85 MAPT (0.44) L3MBTL1MAPTKDM4EALDH1A1HPGD
SCHEMBL11740749 0.83 RAB9A (0.50) MAPTKDM4EALDH1A1HPGDTP53
SCHEMBL11457288 0.83 NPC1 (0.45) MAPTKDM4EALDH1A1HPGDHNF4A
SCHEMBL10759144 0.83 MAPT (0.41) L3MBTL1MAPTKDM4EALDH1A1HPGD
SCHEMBL10761966 0.83 MAPT (0.41) L3MBTL1MAPTALDH1A1HNF4AATM
SCHEMBL10756488 0.83 MAPT (0.41) L3MBTL1MAPTKDM4EALDH1A1HPGD
SCHEMBL10761974 0.82 MAP2K4 (0.44) L3MBTL1MAPTKDM4EALDH1A1HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4141989-A CONTROLLING PHYTOPHTHORA CHEVRON RESEARCH COMPANY (US) 1979-02-27 US disclosed
US-4141990-A BACTERICIDES, FUNGICIDES RIKER LABORATORIES, INC. (US) 1979-02-27 US disclosed
US-4022908-A Use of certain 2-nitro-3-phenyl-alkoxybenzofurans in inhibiting growth of microorganisms and intermediates in the synthesis of said benzofurans RIKER LABORATORIES, INC. (US) 1977-05-10 US disclosed