SCHEMBL8913843

SCHEMBL8913843

CC(=O)N(Cc1ccccc1)C(=O)Nc1sc2nc(C(N)CC(=O)OCc3ccccc3)oc(=O)c2c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 1/20 0.35
ELANE P08246 1/20 0.34
SLC15A1 P46059 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33

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
SCHEMBL8913834 0.87 ATM (0.47) NPSR1ATM
SCHEMBL8912045 0.86 ALDH1A1 (0.43) NPSR1ALDH1A1ELANESMN1; SMN2TSHR
SCHEMBL8911361 0.85 NPSR1 (0.39) NPSR1ALDH1A1ELANESLC15A1SMN1; SMN2
SCHEMBL8912018 0.84 ALDH1A1 (0.39) NPSR1ALDH1A1ELANESMN1; SMN2RAB9A
SCHEMBL8911896 0.84 ATM (0.38) NPSR1ALDH1A1ELANESLC15A1SMN1; SMN2
SCHEMBL8913772 0.84 ITGB3 (0.39) NPSR1ALDH1A1RAB9A
SCHEMBL8911768 0.82 ALDH1A1 (0.39) NPSR1ALDH1A1
SCHEMBL8917887 0.81 MAPT (0.40) NPSR1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL8912143 0.81 ALDH1A1 (0.38) ALDH1A1ELANESLC15A1SMN1; SMN2TSHR
SCHEMBL8913653 0.80 ALDH1A1 (0.41) ALDH1A1ELANESLC15A1SMN1; SMN2TSHR

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