SCHEMBL15326769

SCHEMBL15326769

O=C(O)c1ccc(-c2cc3c(c([N+](=O)[O-])c2OCc2ccccc2)CCCC3)o1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
POLB P06746 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDE4B Q07343 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL27971530 0.99 ALDH1A1 (0.41) ALDH1A1MAPTKDM4EHPGDTDP1
SCHEMBL15326689 0.87 MAPT (0.40) ALDH1A1MAPTKDM4EHPGDTDP1
SCHEMBL27971529 0.85 MAPT (0.40) ALDH1A1MAPTKDM4EHPGDTDP1
SCHEMBL27940470 0.76 DHODH (0.44) MAPTHPGDTDP1POLBRXRA
SCHEMBL27971678 0.75 MAOB (0.35) MAPTTDP1POLBRXRARXRB
SCHEMBL27921796 0.74 MAOA (0.36) POLBRXRARXRB
SCHEMBL15326750 0.74 MAOB (0.36) MAPTTDP1POLBRXRARXRB
SCHEMBL27921772 0.70 HPD (0.33) MAPTTDP1RXRARXRB
SCHEMBL15326673 0.70 ALDH1A1 (0.52) ALDH1A1MAPTKDM4EHPGDTDP1
SCHEMBL629645 0.69 POLB (0.42) MAPTTDP1POLBRXRARXRB

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
WO-2013152683-A1 BICYCLE SUBSTITUTED PYRAZOLONEAZO DERIVATIVES AND PREPARATION METHOD AND USE THEREOF 齐鲁制药有限公司 (CN) 2013-10-17 WO disclosed