SCHEMBL27706288

SCHEMBL27706288

NC(=S)N(C(=O)c1ccccc1)c1cccc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NR4A1 P22736 1/20 0.39
NR4A2 P43354 1/20 0.39
NR4A3 Q92570 1/20 0.39
CTSL P07711 1/20 0.38
CTSK P43235 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL8613623 0.92 GAA (0.46) HDAC1HDAC6CYP3A4CYP2C19GAA
SCHEMBL29234421 0.81 GAA (0.58) SIGMAR1GAAALDH1A1KDM4EL3MBTL1
SCHEMBL6685262 0.77 SIGMAR1 (0.48) SIGMAR1CYP1A2CYP3A4GAAALDH1A1
SCHEMBL3293533 0.76 NPC1 (0.45) SIGMAR1HDAC1HDAC6NPC1CYP1A2
SCHEMBL6685254 0.76 SIGMAR1 (0.44) SIGMAR1GAAALDH1A1KDM4ENR4A1
SCHEMBL2762261 0.75 ALDH1A1 (0.50) CYP3A4CYP2C19RAB9AGAAALDH1A1
SCHEMBL16487448 0.75 SIGMAR1 (0.50) SIGMAR1NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL6831348 0.74 SIGMAR1 (0.47) SIGMAR1GAAALDH1A1KDM4ENR4A1
SCHEMBL6743206 0.73 SIGMAR1 (0.51) SIGMAR1CYP1A2CYP3A4GAAALDH1A1
SCHEMBL4869612 0.73 SIGMAR1 (0.56) SIGMAR1HDAC1HDAC6NPC1CYP1A2

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-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