SCHEMBL8337897

SCHEMBL8337897

O=S(=O)(Nc1ccc(Cl)c(O)c1)c1cnc(Oc2cc(Cl)cc(Cl)c2)c(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 5/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ S100A9 P06702 3/20 0.41
▸ LMNA P02545 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ POLB P06746 2/20 0.40
▸ PGR P06401 1/20 0.40
▸ SCN9A Q15858 2/20 0.39
▸ MAPT P10636 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ XBP1 P17861 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HSD17B3 P37058 1/20 0.37
▸ HSD17B2 P37059 1/20 0.37

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
SCHEMBL8337846 0.81 ALDH1A1 (0.53) S100A9LMNAALDH1A1POLBMAPT
SCHEMBL6674005 0.77 UTS2R (0.58) S100A9SCN9A
SCHEMBL6674000 0.77 UTS2R (0.58) S100A9SCN9A
SCHEMBL6674003 0.77 S100A9 (0.37) CCR2CYP3A4CYP2C9CYP2C19S100A9
SCHEMBL6818562 0.71 UTS2R (0.58) SCN9ASCN5A
SCHEMBL8336957 0.71 HSD17B2 (0.38) S100A9LMNAALDH1A1POLBPGR
SCHEMBL16235475 0.70 S100A9 (0.45) CCR2CYP3A4CYP2C9CYP2C19S100A9
SCHEMBL6825082 0.70 SCN9A (0.35) S100A9LMNAPOLBSCN9AMAPT
SCHEMBL6676986 0.69 S100A9 (0.36) S100A9LMNAALDH1A1POLBSCN9A
SCHEMBL6676981 0.69 UTS2R (0.57) S100A9

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-2004043463-A2 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2004-05-27 — — WO disclosed
Send feedback