SCHEMBL19726068

SCHEMBL19726068

C/N=C(\C(=O)NC1C(=O)N2C(C(=O)OCc3ccc(OC)cc3)=C(CCl)CSC12)c1csc(NC(=O)OC(C)(C)C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 5/20 0.44
▸ MAPT P10636 4/20 0.44
▸ PPARG P37231 2/20 0.44
▸ ALB P02768 1/20 0.44
▸ SLC22A6 Q4U2R8 1/20 0.44
▸ SLC22A8 Q8TCC7 1/20 0.44
▸ SLC22A11 Q9NSA0 1/20 0.44
▸ HTR2C P28335 1/20 0.43
▸ PTGS1 P23219 2/20 0.43
▸ TDP1 Q9NUW8 5/20 0.43
▸ HSD17B10 Q99714 3/20 0.43
▸ APEX1 P27695 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ ABCC4 O15439 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL8983045 0.94 NR1I2 (0.51) NR1I2MAPTPPARGALBSLC22A6
SCHEMBL8983048 0.94 NR1I2 (0.51) NR1I2MAPTPPARGALBSLC22A6
SCHEMBL8982845 0.92 NR1I2 (0.44) NR1I2MAPTPPARGALBSLC22A6
SCHEMBL8982849 0.92 NR1I2 (0.44) NR1I2MAPTPPARGALBSLC22A6
SCHEMBL19726067 0.92 NR1I2 (0.45) NR1I2MAPTPPARGALBSLC22A6
SCHEMBL8983035 0.92 NR1I2 (0.45) NR1I2MAPTPPARGALBSLC22A6
SCHEMBL9848034 0.92 NR1I2 (0.45) NR1I2MAPTPPARGALBSLC22A6
SCHEMBL8983019 0.92 NR1I2 (0.45) NR1I2MAPTPPARGALBSLC22A6
SCHEMBL8983180 0.90 NR1I2 (0.44) NR1I2MAPTPPARGALBSLC22A6
SCHEMBL8983174 0.90 NR1I2 (0.44) NR1I2MAPTPPARGALBSLC22A6

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-2017216765-A1 ANTIBACTERIAL COMPOSITIONS WOCKHARDT LIMITED (IN) 2017-12-21 — — WO disclosed
Send feedback