SCHEMBL5452730

SCHEMBL5452730

N=C(N)SC(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.50
RECQL P46063 2/20 0.50
TSHR P16473 2/20 0.50
CYP2C19 P33261 2/20 0.50
POLB P06746 2/20 0.50
MAPT P10636 2/20 0.50
F2 P00734 1/20 0.50
F10 P00742 1/20 0.50
F12 P00748 1/20 0.50
F7 P08709 1/20 0.50
F3 P13726 1/20 0.50
PKM P14618 1/20 0.50
CYP3A4 P08684 1/20 0.50
PARP1 P09874 1/20 0.50
PMP22 Q01453 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PRSS1 P07477 2/20 0.46
PRSS2 P07478 2/20 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
SCHEMBL28005968 0.82 TDP1 (0.54) BLMRECQLTSHRCYP2C19POLB
SCHEMBL4453783 0.81 CES1 (0.55) BLMRECQLTSHRCYP2C19POLB
SCHEMBL28013116 0.79 CES1 (0.52) BLMRECQLTSHRCYP2C19POLB
Phosphine SCHEMBL28389655 0.79 CES1 (0.52) BLMRECQLTSHRCYP2C19POLB
SCHEMBL528366 0.79 CES1 (0.52) BLMRECQLTSHRCYP2C19POLB
SCHEMBL28137597 0.78 TDP1 (0.50) BLMRECQLTSHRCYP2C19POLB
SCHEMBL46960 0.77 F2 (0.54) BLMRECQLTSHRCYP2C19POLB
Biphenyl SCHEMBL3024307 0.75 RAB9A (0.50) BLMRECQLTSHRCYP2C19POLB
SCHEMBL1271166 0.73 CES1 (0.50) BLMRECQLTSHRCYP2C19POLB
SCHEMBL12263018 0.73 CA2 (0.54) BLMRECQLTSHRCYP2C19POLB

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
CN-101129295-B There is the binary initiator system of good storage stability and especially suitable for acidic system HERAEUS KULZER GMBH (DE) 2016-02-10 CN disclosed
CN-101129295-A 2-component initiator system (amine free) with storage stability and especially suitable for acidic systems HERAEUS KULZER GMBH (DE) 2008-02-27 CN disclosed
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