SCHEMBL5458057

SCHEMBL5458057

COc1ccc(C=NC(=S)Nc2nc(C)cc(=O)[nH]2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP10 P09238 1/20 0.67
▸ MMP13 P45452 1/20 0.67
▸ MAPT P10636 6/20 0.51
▸ GAA P10253 5/20 0.51
▸ POLB P06746 3/20 0.51
▸ KMT2A Q03164 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KDM4E B2RXH2 4/20 0.48
▸ BLM P54132 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.47
▸ ALPL P05186 1/20 0.47
▸ ALPI P09923 1/20 0.47
▸ ALPG P10696 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ STAT3 P40763 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44

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
SCHEMBL5458054 1.00 MMP10 (0.67) MMP10MMP13MAPTGAAPOLB
SCHEMBL5449454 0.86 MAPT (0.48) MMP10MMP13MAPTGAAPOLB
SCHEMBL20547326 0.68 MAOA (0.58) MAPTGAAPOLBKMT2AMEN1
SCHEMBL14027233 0.67 POLB (0.83) MMP10MMP13MAPTGAAPOLB
SCHEMBL10369738 0.64 MAPK1 (0.67) MMP10MMP13MAPTGAAPOLB
SCHEMBL512500 0.64 GAA (0.64) MAPTGAAPOLBKMT2AMEN1
SCHEMBL30018123 0.64 MAPT (1.00) MMP10MMP13MAPTGAAPOLB
SCHEMBL29406085 0.61 STAT3 (1.00) MAPTPOLBKMT2AMEN1KDM4E
SCHEMBL4468905 0.60 POLB (0.53) MAPTGAAPOLBKMT2AMEN1
SCHEMBL19820836 0.60 POLB (0.54) MAPTGAAPOLBKMT2AKDM4E

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
US-20070040151-A1 Two-component initiator system (amine-free) with very good storage stability and particular suitability for acid systems HERAEUS KULZER GMBH (DE) 2007-02-22 — — US disclosed
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