SCHEMBL28033909

SCHEMBL28033909

Fc1cccc(NC(=S)Nc2cccc(F)c2F)c1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
KMT2A Q03164 5/20 0.51
MEN1 O00255 3/20 0.51
MAPT P10636 2/20 0.51
HPGD P15428 2/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.50
KDM4E B2RXH2 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
POLB P06746 1/20 0.45
ALOX12 P18054 1/20 0.45
NPC1 O15118 1/20 0.45
CYP3A4 P08684 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL28822520 0.88 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1MAPTHPGD
SCHEMBL28033894 0.84 ALDH1A1 (0.74) ALDH1A1KMT2AMEN1HPGDLMNA
SCHEMBL29838495 0.83 L3MBTL1 (0.50) ALDH1A1KMT2AMEN1MAPTGAA
SCHEMBL5464387 0.83 L3MBTL1 (0.50) ALDH1A1KMT2AMEN1MAPTGAA
SCHEMBL20560687 0.83 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1MAPTHPGD
SCHEMBL6964358 0.83 RAB9A (0.44) ALDH1A1KMT2AMEN1MAPTHPGD
SCHEMBL4256324 0.83 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1MAPTHPGD
SCHEMBL28034503 0.82 LMNA (0.47) ALDH1A1KMT2AMEN1MAPTHPGD
SCHEMBL29838503 0.82 ALDH1A1 (0.70) ALDH1A1KMT2AMEN1MAPTHPGD
SCHEMBL5449341 0.82 ALDH1A1 (0.70) ALDH1A1KMT2AMEN1MAPTHPGD

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
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