SCHEMBL5450034

SCHEMBL5450034

COc1ccc(Cl)cc1NC(=S)Nc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.76
ALDH1A1 P00352 8/20 0.73
MAPT P10636 4/20 0.73
SMN1; SMN2 Q16637 2/20 0.73
NPSR1 Q6W5P4 1/20 0.73
KMT2A Q03164 5/20 0.73
KDM4E B2RXH2 1/20 0.73
LMNA P02545 2/20 0.71
MEN1 O00255 3/20 0.70
HTT P42858 2/20 0.62
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
ALPL P05186 1/20 0.62
ALPI P09923 1/20 0.62
ALPG P10696 1/20 0.62
ALOX12 P18054 1/20 0.62
POLB P06746 1/20 0.61
TDP1 Q9NUW8 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
HPGD P15428 1/20 0.58

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
SCHEMBL11007347 0.89 ALDH1A1 (0.72) GAAALDH1A1MAPTSMN1; SMN2NPSR1
SCHEMBL28401841 0.88 ALDH1A1 (0.82) GAAALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL30362713 0.88 ALDH1A1 (0.82) GAAALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL30362755 0.87 GAA (0.77) GAAALDH1A1MAPTSMN1; SMN2NPSR1
SCHEMBL28401851 0.87 GAA (0.77) GAAALDH1A1MAPTSMN1; SMN2NPSR1
SCHEMBL28398542 0.85 GAA (0.76) GAAALDH1A1MAPTSMN1; SMN2NPSR1
SCHEMBL30362785 0.85 GAA (0.76) GAAALDH1A1MAPTSMN1; SMN2NPSR1
SCHEMBL6442535 0.85 GAA (0.67) GAAALDH1A1MAPTKMT2AKDM4E
SCHEMBL6814971 0.85 KMT2A (0.65) GAAALDH1A1MAPTKMT2AKDM4E
SCHEMBL6812340 0.84 KMT2A (0.61) GAAALDH1A1MAPTSMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111138358-B USP8 inhibitor and preparation method and application thereof 中国药科大学 2023-04-18 CN disclosed
CN-111138358-A USP8 inhibitor and preparation method and application thereof 中国药科大学 2020-05-12 CN disclosed
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