SCHEMBL5452725

SCHEMBL5452725

Cc1ccccc1C(=O)NC(=S)Nc1cccc(Br)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 0.73
KMT2A Q03164 9/20 0.73
MEN1 O00255 6/20 0.73
MAPT P10636 5/20 0.73
HTT P42858 1/20 0.73
NPC1 O15118 3/20 0.70
RAB9A P51151 3/20 0.70
L3MBTL1 Q9Y468 2/20 0.70
POLB P06746 2/20 0.62
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
LMNA P02545 4/20 0.60
KDM4E B2RXH2 3/20 0.56
ALOX12 P18054 3/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HPGD P15428 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
P2RX1 P51575 1/20 0.53

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
SCHEMBL12225790 0.86 P2RX1 (0.70) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL5455495 0.84 ALDH1A1 (0.72) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL14825211 0.84 ALDH1A1 (0.73) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL5450344 0.83 ALDH1A1 (0.63) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL5465288 0.82 ALDH1A1 (0.70) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL18342290 0.81 ALDH1A1 (0.72) ALDH1A1KMT2AMEN1MAPTNPC1
SCHEMBL5448102 0.79 ALDH1A1 (0.68) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL14095960 0.76 ALDH1A1 (0.69) ALDH1A1KMT2AMEN1MAPTHTT
Hydrochloric Acid SCHEMBL3717639 0.76 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL2698800 0.75 P2RX1 (0.67) ALDH1A1KMT2AMEN1MAPTHTT

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