SCHEMBL5452517

SCHEMBL5452517

COc1ccc(NC(=S)N(C)C)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.68
ALDH1A1 P00352 6/20 0.68
LMNA P02545 1/20 0.68
HPGD P15428 2/20 0.59
CYP1A2 P05177 1/20 0.58
CYP2C19 P33261 1/20 0.58
SMN1; SMN2 Q16637 6/20 0.57
NPC1 O15118 5/20 0.57
RAB9A P51151 5/20 0.57
GAA P10253 2/20 0.57
MAOA P21397 2/20 0.56
MAOB P27338 2/20 0.56
HTT P42858 3/20 0.54
TP53 P04637 1/20 0.53
ESR2 Q92731 1/20 0.53
NOX1 Q9Y5S8 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 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
SCHEMBL5448306 0.80 MAPT (0.70) MAPTALDH1A1LMNAHPGDCYP1A2
SCHEMBL8167087 0.79 CYP1A2 (0.85) MAPTALDH1A1LMNAHPGDCYP1A2
SCHEMBL13715007 0.78 HPGD (0.66) MAPTALDH1A1LMNAHPGDCYP1A2
SCHEMBL7306947 0.78 CYP1A2 (0.69) MAPTALDH1A1LMNAHPGDCYP1A2
SCHEMBL5450380 0.78 ALDH1A1 (0.58) MAPTALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL7088596 0.77 NPC1 (0.66) MAPTSMN1; SMN2NPC1RAB9ATP53
SCHEMBL526026 0.76 ALDH1A1 (0.70) MAPTALDH1A1LMNAHPGDCYP1A2
SCHEMBL5454000 0.76 ALDH1A1 (0.61) MAPTALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL4499854 0.76 HPGD (0.63) MAPTALDH1A1LMNAHPGDCYP1A2
SCHEMBL23618280 0.75 ALDH1A1 (0.61) MAPTALDH1A1HPGDCYP1A2SMN1; SMN2

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