SCHEMBL5450344

SCHEMBL5450344

O=C(NC(=S)Nc1cccc(Br)c1)c1cccc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.63
KMT2A Q03164 9/20 0.63
MEN1 O00255 8/20 0.63
MAPT P10636 5/20 0.63
ALOX12 P18054 4/20 0.63
LMNA P02545 3/20 0.63
HTT P42858 2/20 0.63
TDP1 Q9NUW8 2/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
KDM4E B2RXH2 4/20 0.60
MITF O75030 1/20 0.55
P2RX1 P51575 1/20 0.52
HPGD P15428 2/20 0.50
IDO1 P14902 1/20 0.50
MMP3 P08254 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
GAA P10253 2/20 0.49
KCNH2 Q12809 1/20 0.49

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
SCHEMBL5453211 0.86 ALDH1A1 (0.72) ALDH1A1KMT2AMEN1MAPTALOX12
SCHEMBL5445792 0.85 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1MAPTALOX12
SCHEMBL5452725 0.83 ALDH1A1 (0.73) ALDH1A1KMT2AMEN1MAPTALOX12
SCHEMBL1514749 0.81 RAB9A (0.65) ALDH1A1KMT2AMEN1MAPTALOX12
SCHEMBL18342290 0.80 ALDH1A1 (0.72) ALDH1A1KMT2AMEN1MAPTALOX12
SCHEMBL5443694 0.79 MITF (0.63) ALDH1A1KMT2AMEN1MAPTALOX12
SCHEMBL3054964 0.79 ALDH1A1 (0.66) ALDH1A1KMT2AMEN1MAPTALOX12
SCHEMBL1337541 0.74 ALDH1A1 (0.63) ALDH1A1KMT2AMEN1MAPTALOX12
SCHEMBL5442089 0.73 KMT2A (0.89) ALDH1A1KMT2AMEN1MAPTALOX12
SCHEMBL31388373 0.73 KMT2A (0.89) ALDH1A1KMT2AMEN1MAPTALOX12

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