SCHEMBL8774039

SCHEMBL8774039

CC(C(=O)O)c1cccc(NC(N)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
PTGS1 P23219 3/20 0.51
CXCR1 P25024 2/20 0.51
CXCR2 P25025 2/20 0.51
PTGS2 P35354 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 2/20 0.51
LMNA P02545 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
RECQL P46063 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPK1 P28482 1/20 0.51
PMP22 Q01453 1/20 0.51
SLC22A6 Q4U2R8 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CXCL8 P10145 1/20 0.51
THPO P40225 1/20 0.51

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
SCHEMBL28632640 0.87 LMNA (0.54) MAPTPTGS1CXCR1CXCR2PTGS2
Benzene SCHEMBL11583205 0.87 FADS1 (0.60) MAPTKDM4ELMNAALDH1A1HPGD
SCHEMBL4854892 0.85 ALDH1A1 (0.55) MAPTPTGS1CXCR1CXCR2PTGS2
SCHEMBL12569599 0.85 FADS1 (0.61) MAPTKDM4ELMNAMEN1KMT2A
SCHEMBL29639822 0.85 FADS1 (0.61) MAPTKDM4ELMNAMEN1KMT2A
SCHEMBL24166526 0.83 MEN1 (0.73) MAPTKDM4ELMNAMEN1KMT2A
SCHEMBL11574129 0.82 GAA (0.51) MAPTKDM4EALDH1A1HPGDMEN1
SCHEMBL26999640 0.82 MEN1 (0.53) MAPTKDM4ELMNAALDH1A1HPGD
SCHEMBL3430494 0.81 MEN1 (0.51) MAPTKDM4ELMNAALDH1A1MEN1
SCHEMBL729868 0.81 PTGS1 (0.56) MAPTPTGS1CXCR1CXCR2PTGS2

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-0804425-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-05 EP disclosed