SCHEMBL5450015

SCHEMBL5450015

CCNC(=S)Nc1ccccc1F

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.73
GAA P10253 2/20 0.73
SMN1; SMN2 Q16637 2/20 0.71
KMT2A Q03164 2/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
MEN1 O00255 1/20 0.59
LMNA P02545 1/20 0.58
POLB P06746 1/20 0.58
HPGD P15428 1/20 0.57

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
SCHEMBL28033894 0.86 ALDH1A1 (0.74) ALDH1A1GAASMN1; SMN2KMT2AL3MBTL1
SCHEMBL29838503 0.82 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2KMT2AL3MBTL1NPC1
SCHEMBL5449341 0.82 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2KMT2AL3MBTL1NPC1
SCHEMBL5450320 0.81 KMT2A (0.63) ALDH1A1GAASMN1; SMN2KMT2AL3MBTL1
SCHEMBL16320691 0.81 SMN1; SMN2 (0.89) ALDH1A1GAASMN1; SMN2KMT2AL3MBTL1
SCHEMBL11803606 0.81 NPC1 (0.69) ALDH1A1GAASMN1; SMN2KMT2AL3MBTL1
SCHEMBL11966912 0.80 SMN1; SMN2 (0.63) ALDH1A1GAASMN1; SMN2KMT2AL3MBTL1
SCHEMBL14280598 0.80 SMN1; SMN2 (0.63) ALDH1A1GAASMN1; SMN2KMT2AL3MBTL1
SCHEMBL11282594 0.80 L3MBTL1 (0.70) ALDH1A1GAASMN1; SMN2L3MBTL1LMNA
SCHEMBL5453892 0.79 LMNA (0.66) ALDH1A1GAASMN1; SMN2KMT2AL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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