SCHEMBL28033907

SCHEMBL28033907

Cc1c(N)ccc(NC(=S)NC(=O)c2ccccc2)c1C

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.63
ALDH1A1 P00352 5/20 0.56
MAPT P10636 4/20 0.56
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
NPSR1 Q6W5P4 2/20 0.56
RXFP1 Q9HBX9 1/20 0.56
KDM4E B2RXH2 2/20 0.54
MEN1 O00255 2/20 0.54
ALOX12 P18054 2/20 0.54
KMT2A Q03164 2/20 0.54
HPGD P15428 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
GAA P10253 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
POLB P06746 1/20 0.53
PLK1 P53350 1/20 0.52

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
Hydrochloric Acid SCHEMBL18815244 0.84 ALDH1A1 (0.50) EPHX1ALDH1A1MAPTNPC1RAB9A
SCHEMBL8612464 0.84 EPHX1 (0.77) EPHX1ALDH1A1MAPTNPC1RAB9A
SCHEMBL18550732 0.79 EPHX1 (0.69) EPHX1ALDH1A1MAPTNPC1RAB9A
SCHEMBL6118209 0.78 EPHX1 (0.78) EPHX1ALDH1A1MAPTNPC1RAB9A
SCHEMBL8612483 0.78 EPHX1 (0.77) EPHX1ALDH1A1MAPTNPC1RAB9A
SCHEMBL5713527 0.78 EPHX1 (1.00) EPHX1ALDH1A1MAPTNPC1RAB9A
SCHEMBL28892746 0.78 EPHX1 (0.68) EPHX1ALDH1A1MAPTNPC1RAB9A
SCHEMBL18550651 0.78 EPHX1 (0.72) EPHX1ALDH1A1MAPTNPC1RAB9A
SCHEMBL23043015 0.77 EPHX1 (0.66) EPHX1ALDH1A1MAPTNPC1RAB9A
SCHEMBL29680187 0.77 EPHX1 (0.66) EPHX1ALDH1A1MAPTNPC1RAB9A

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