SCHEMBL8154152

SCHEMBL8154152

NN(c1ccccc1)c1cc(=O)[nH]c(=O)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 6/20 0.38
POLB P06746 1/20 0.38
TAAR1 Q96RJ0 1/20 0.36
APAF1 O14727 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
YTHDC1 Q96MU7 1/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 2/20 0.36
CYP3A4 P08684 1/20 0.36
TYMP P19971 2/20 0.36
GAA P10253 2/20 0.35
KDM4E B2RXH2 1/20 0.35
PLA2G10 O15496 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CA1 P00915 1/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
XDH P47989 1/20 0.34

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
SCHEMBL7965645 0.72 KDM4C (0.40) GPR84POLBTAAR1APAF1KDM4C
SCHEMBL14401328 0.71 GAA (0.44) GPR84ALDH1A1HPGDGAAKDM4E
SCHEMBL2181657 0.71 GPR84 (0.50) GPR84ALDH1A1LMNACA1
SCHEMBL3497870 0.70 MEN1 (0.62) GPR84POLBAPAF1KDM4CALDH1A1
SCHEMBL14450261 0.70 GAA (0.70) KDM4CALDH1A1LMNAHPGDGAA
SCHEMBL1362732 0.66 GPR84 (0.53) GPR84ALDH1A1LMNACA1
SCHEMBL193916 0.66 ALDH1A1 (0.46) ALDH1A1HPGDCYP3A4GAAKDM4E
SCHEMBL1792016 0.66 ALDH1A1 (0.46) ALDH1A1HPGDCYP3A4GAAKDM4E
SCHEMBL21650526 0.66 NOTUM (0.48) ALDH1A1HPGDCYP3A4
SCHEMBL28818278 0.65 GPR84 (0.51) GPR84ALDH1A1LMNACA1

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-0772439-B1 Novel antibiotic compounds and antibiotic compositions comprising said compounds for inhibiting gram positive bacteria and mycoplasma cells. UNIV MASSACHUSETTS MEDICAL (US) 2000-10-04 EP disclosed