SCHEMBL8019186

SCHEMBL8019186

Nc1cccc2cc[c]c(O)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.39
RPS6KA3 P51812 1/20 0.39
MELK Q14680 1/20 0.39
STK24 Q9Y6E0 1/20 0.39
TSHR P16473 5/20 0.35
CYP3A4 P08684 4/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
HSD17B10 Q99714 3/20 0.35
KEAP1 Q14145 1/20 0.35
ALOX15 P16050 1/20 0.33
TYMS P04818 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP1B1 Q16678 1/20 0.33
TDP1 Q9NUW8 1/20 0.31
GLO1 Q04760 1/20 0.31
F2 P00734 1/20 0.31
PLG P00747 1/20 0.31
PLAU P00749 1/20 0.31

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
SCHEMBL972274 0.79 ALDH1A1 (0.45) TSHRCYP3A4ALDH1A1HPGDHSD17B10
SCHEMBL624345 0.79 JAK2 (0.41) JAK2RPS6KA3MELKSTK24TSHR
SCHEMBL29212679 0.78 MEN1 (0.44) TSHRCYP3A4ALDH1A1HPGDHSD17B10
SCHEMBL8974366 0.77
SCHEMBL65699 0.72 JAK2 (0.54) JAK2RPS6KA3MELKSTK24TSHR
SCHEMBL29349435 0.72 JAK2 (0.54) JAK2RPS6KA3MELKSTK24TSHR
SCHEMBL444774 0.72 TSHR (0.52) JAK2RPS6KA3MELKSTK24TSHR
SCHEMBL29365168 0.72 TSHR (0.52) JAK2RPS6KA3MELKSTK24TSHR
SCHEMBL30845313 0.72 TSHR (0.52) JAK2RPS6KA3MELKSTK24TSHR
SCHEMBL27489741 0.71 JAK2 (0.39) JAK2RPS6KA3MELKSTK24TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6060591-A FOR DYEING A MATERIAL CONTAINING HYDROXY OR CARBOXAMIDE GROUPS OR BOTH DY STAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND K.G. (DE) 2000-05-09 US disclosed
EP-0694053-A1 WATER-SOLUBLE FIBER-REACTIVE DYES, PROCESS FOR PRODUCING THE SAME AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1996-01-31 EP disclosed
WO-1994024214-A1 WATER-SOLUBLE FIBER-REACTIVE DYES, PROCESS FOR PRODUCING THE SAME AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1994-10-27 WO disclosed