SCHEMBL5458272

SCHEMBL5458272

Cc1ccccc1C(=O)NC(=S)NCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.75
ALOX12 P18054 3/20 0.75
POLB P06746 3/20 0.75
HPGD P15428 3/20 0.67
CYP1A2 P05177 2/20 0.67
CYP2C19 P33261 2/20 0.67
CYP3A4 P08684 1/20 0.67
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
MITF O75030 1/20 0.66
SMN1; SMN2 Q16637 3/20 0.63
LMNA P02545 1/20 0.63
KDM4E B2RXH2 2/20 0.58
NPC1 O15118 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
GAA P10253 1/20 0.58
MAPK1 P28482 1/20 0.57
HTT P42858 1/20 0.56

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
SCHEMBL1032002 0.84 MAPK1 (0.77) ALDH1A1HPGDCYP2C19CYP3A4MEN1
SCHEMBL2893277 0.81 ALDH1A1 (0.72) ALDH1A1ALOX12POLBHPGDMEN1
SCHEMBL9728486 0.81 ALDH1A1 (0.57) ALDH1A1ALOX12POLBHPGDCYP1A2
SCHEMBL5458075 0.80 ALDH1A1 (0.67) ALDH1A1ALOX12POLBHPGDMEN1
SCHEMBL14096444 0.80 ALDH1A1 (1.00) ALDH1A1ALOX12POLBHPGDCYP1A2
SCHEMBL5455495 0.77 ALDH1A1 (0.72) ALDH1A1ALOX12POLBHPGDMEN1
SCHEMBL12069951 0.77 MEN1 (0.89) ALDH1A1ALOX12POLBCYP1A2CYP2C19
SCHEMBL2153795 0.75 HTT (0.71) ALDH1A1ALOX12POLBHPGDCYP1A2
SCHEMBL1034235 0.75 HPGD (0.72) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL29231950 0.75 HPGD (0.66) ALDH1A1ALOX12POLBHPGDCYP1A2

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