SCHEMBL11547876

SCHEMBL11547876

Cc1ccc2c(-c3ccccc3)c([N+](=O)[O-])oc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 1/20 0.43
HPRT1 P00492 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.41
ERAP1 Q9NZ08 1/20 0.41
MAPT P10636 3/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL11543503 0.89 L3MBTL1 (0.51) HNF4AHPRT1ALDH1A1KDM4EMAPT
SCHEMBL10755667 0.85 RXRA (0.40) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL11457217 0.83 MEN1 (0.46) HNF4AALDH1A1KDM4EMAPTCYP3A4
SCHEMBL10760681 0.83 ALDH1A1 (0.53) ALDH1A1KDM4EERAP1MAPTCYP3A4
SCHEMBL11743159 0.82 ALDH1A1 (0.57) HNF4AALDH1A1KDM4EMAPTTP53
SCHEMBL10762730 0.82 MAPK1 (0.41) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL7274704 0.82 MAPT (0.46) HNF4AALDH1A1KDM4EMAPTTP53
SCHEMBL11626335 0.81 TTR (0.49) MAPTTP53MEN1KMT2ANPC1
SCHEMBL11637588 0.81 ALDH1A1 (0.40) ALDH1A1ERAP1MAPTMEN1KMT2A
SCHEMBL11548743 0.79 MAPT (0.48) HNF4AALDH1A1KDM4EMAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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