SCHEMBL5455076

SCHEMBL5455076

CC(C)N(C(=S)Nc1ccccc1)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
TAS2R38 P59533 3/20 0.52
ALDH1A1 P00352 4/20 0.50
MAPT P10636 3/20 0.50
HSD17B10 Q99714 2/20 0.50
CYP3A4 P08684 1/20 0.50
HPGD P15428 2/20 0.47
CYP1A2 P05177 1/20 0.47
GAA P10253 3/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
NOX1 Q9Y5S8 1/20 0.47
TP53 P04637 1/20 0.47
TYR P14679 1/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
PHGDH O43175 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
SCHEMBL11415922 0.90 KMT2A (0.49) KMT2AALDH1A1MAPTGAAKDM4E
SCHEMBL11415519 0.86 KMT2A (0.51) KMT2AALDH1A1MAPTCYP1A2GAA
SCHEMBL11070019 0.81 TAS2R38 (0.48) KMT2ATAS2R38ALDH1A1MAPTHSD17B10
SCHEMBL23618280 0.77 ALDH1A1 (0.61) KMT2ATAS2R38ALDH1A1MAPTHSD17B10
SCHEMBL5448016 0.77 ALDH1A1 (0.61) KMT2ATAS2R38ALDH1A1MAPTHSD17B10
SCHEMBL10942832 0.76 CA12 (0.59) KMT2AALDH1A1MAPTHSD17B10HPGD
SCHEMBL5455171 0.76 MEN1 (0.71) KMT2ATAS2R38ALDH1A1MAPTHSD17B10
SCHEMBL10670402 0.73 MEN1 (0.67) KMT2ATAS2R38ALDH1A1MAPTHSD17B10
SCHEMBL1814658 0.72 TAS2R38 (0.58) KMT2ATAS2R38ALDH1A1MAPTHSD17B10
SCHEMBL27574805 0.72 CYP1A2 (0.56) KMT2ATAS2R38ALDH1A1MAPTHSD17B10

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 4 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-103288681-A Process for producing N, N'-diisopropylbenzene carbodiimide by thiourea method SHANXI PROVINCIAL INST OF CHEMICAL INDUSTRY 2013-09-11 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