SCHEMBL8724367

SCHEMBL8724367

O=[N+]([O-])c1cccc(-c2cc(Br)c(Br)s2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
TSHR P16473 1/20 0.48
PTPN1 P18031 1/20 0.48
MGAM O43451 1/20 0.48
GAA P10253 1/20 0.48
SI P14410 1/20 0.48
PKM P14618 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
MAPT P10636 3/20 0.46
RAB9A P51151 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46

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
SCHEMBL8721301 0.88 PTPN1 (0.43) LMNATSHRPTPN1MGAMGAA
SCHEMBL2179103 0.80 APP (0.66) LMNATSHRPTPN1MGAMGAA
SCHEMBL8721286 0.79 APP (0.51) LMNATSHRPTPN1MGAMGAA
SCHEMBL11523469 0.77 APP (0.61) LMNATSHRPTPN1MGAMGAA
SCHEMBL14838409 0.75 HSD17B1 (0.41) LMNAPTPN1GAAPKMMAPT
SCHEMBL6738366 0.75 TSHR (0.76) LMNATSHRMGAMGAASI
SCHEMBL8722148 0.75 CHRNB2 (0.41) LMNAPTPN1MGAMGAASI
SCHEMBL7919533 0.74 HSD17B1 (0.54) LMNATSHRPTPN1MGAMGAA
SCHEMBL11392466 0.73 TSHR (0.73) LMNATSHRMGAMGAASI
Iodide SCHEMBL30804629 0.73 TSHR (0.73) LMNATSHRMGAMGAASI

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-1998000430-A1 IMIDAZOL DERIVATIVES USEFUL AS NITROGEN MONOXIDE SYNTHASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 1998-01-08 WO disclosed