SCHEMBL8912018

SCHEMBL8912018

Cc1c(NC(=O)Nc2ccccc2)sc2nc(C(N)CC(=O)OCc3ccccc3)oc(=O)c12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GAA P10253 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ELANE P08246 1/20 0.36
USP2 O75604 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TLR2 O60603 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL8917887 0.94 MAPT (0.40) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL8911896 0.91 ATM (0.38) ALDH1A1NPSR1ELANESMN1; SMN2
SCHEMBL8913772 0.91 ITGB3 (0.39) ALDH1A1NPSR1RAB9A
SCHEMBL8912045 0.90 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL8911361 0.89 NPSR1 (0.39) ALDH1A1NPSR1RAB9AELANESMN1; SMN2
SCHEMBL8912021 0.85 ATM (0.51) NPSR1
SCHEMBL8911768 0.85 ALDH1A1 (0.39) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL8913843 0.84 NPSR1 (0.36) ALDH1A1NPSR1RAB9AELANESMN1; SMN2
SCHEMBL8913653 0.84 ALDH1A1 (0.41) ALDH1A1RAB9AELANESMN1; SMN2
SCHEMBL8911749 0.83 ALDH1A1 (0.41) ALDH1A1RAB9AELANESMN1; SMN2

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
EP-0799230-A1 THIENOXAZINONE DERIVATIVES USEFUL AS ANTIVIRAL AGENTS SMITHKLINE BEECHAM PLC (GB) 1997-10-08 EP disclosed
WO-1996019482-A1 THIENOXAZINONE DERIVATIVES USEFUL AS ANTIVIRAL AGENTS SMITHKLINE BEECHAM PLC (GB) 1996-06-27 WO disclosed