SCHEMBL6686566

SCHEMBL6686566

OP(S)(=NCc1ccccc1)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
CETP P11597 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
SRC P12931 1/20 0.38
PDPK1 O15530 1/20 0.37
MTOR P42345 1/20 0.37
ALPG P10696 1/20 0.37
PTK2B Q14289 1/20 0.37
IDO1 P14902 1/20 0.36
FOLH1 Q04609 1/20 0.36
AGXT P21549 1/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
CYP1A2 P05177 1/20 0.35
PTGS1 P23219 1/20 0.35
SLC6A2 P23975 1/20 0.35
CYP2C19 P33261 1/20 0.35
PTGS2 P35354 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL6682554 0.81 TSHR (0.55) TSHRCETPSMN1; SMN2SRCPDPK1
SCHEMBL3073562 0.77 TSHR (0.42) TSHRSRCPDPK1MTORALPG
SCHEMBL7079122 0.77 GRIN2B (0.41) TSHRIDO1ALDH1A1
SCHEMBL3073979 0.73 TSHR (0.59) TSHRCETPSRCPDPK1MTOR
SCHEMBL3068383 0.73 TSHR (0.70) TSHRCETPSRCPDPK1MTOR
SCHEMBL3076795 0.73 TSHR (0.59) TSHRCETPSRCPDPK1MTOR
SCHEMBL3073383 0.69 TSHR (0.63) TSHRCETPSRCPDPK1MTOR
SCHEMBL1491036 0.69 TSHR (0.52) TSHRCETPSRCIDO1AGXT
SCHEMBL12831300 0.69 TSHR (0.63) TSHRCETPSRCPDPK1MTOR
SCHEMBL3068400 0.69 TSHR (0.63) TSHRCETPSRCPDPK1MTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1472319-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2004-11-03 EP disclosed
WO-2004065305-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON MANGANESE UNIVERSITY OF DAYTON (US) 2004-08-05 WO disclosed
WO-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed