SCHEMBL7295306

SCHEMBL7295306

Nc1ccccc1SCCOc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.57
RAB9A P51151 4/20 0.57
LMNA P02545 2/20 0.57
ALDH1A1 P00352 5/20 0.54
L3MBTL1 Q9Y468 4/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
TDP1 Q9NUW8 3/20 0.54
POLB P06746 2/20 0.48
TAAR1 Q96RJ0 1/20 0.48
KCNA3 P22001 1/20 0.48
KDM4E B2RXH2 2/20 0.48
GAA P10253 1/20 0.48
AR P10275 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
TP53 P04637 2/20 0.45
MAPK1 P28482 1/20 0.45
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 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
SCHEMBL30527922 0.94 MEN1 (0.52) NPC1RAB9ALMNAALDH1A1L3MBTL1
SCHEMBL11234922 0.80 MEN1 (0.52) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL12301178 0.80 ALDH1A1 (0.53) NPC1RAB9ALMNAALDH1A1L3MBTL1
SCHEMBL9808023 0.78 ALDH1A1 (0.61) NPC1RAB9ALMNAALDH1A1L3MBTL1
SCHEMBL29351476 0.77 MEN1 (0.62) NPC1RAB9ALMNAALDH1A1L3MBTL1
SCHEMBL292217 0.77 MEN1 (0.62) NPC1RAB9ALMNAALDH1A1L3MBTL1
SCHEMBL1025101 0.77 CHRNB2 (0.53) LMNAALDH1A1MEN1KMT2AHPGD
SCHEMBL7620846 0.77 KMT2A (0.48) LMNAALDH1A1MEN1KMT2ATDP1
SCHEMBL28708338 0.74 KCNA3 (0.58) NPC1RAB9ALMNAALDH1A1L3MBTL1
SCHEMBL8671561 0.73 KCNA3 (0.64) NPC1RAB9ALMNAALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112824435-A High-regularity thermoplastic polyurethane material and preparation method thereof 北京化工大学 2021-05-21 CN claimed
CN-117903035-A Maleimide resin, process for producing the same, 3D-printable maleimide resin composition, process for producing the same, and device produced therefrom 上海信斯帝克新材料有限公司 2024-04-19 CN disclosed
CN-113831493-B Self-repairing polyurethane elastomer containing six-fold intermolecular hydrogen bonds and preparation method thereof 中国科学院宁波材料技术与工程研究所 2023-07-18 CN disclosed
CN-113831493-A Self-repairing polyurethane elastomer containing six-fold intermolecular hydrogen bonds and preparation method thereof 中国科学院宁波材料技术与工程研究所 2021-12-24 CN disclosed
CN-112824435-A High-regularity thermoplastic polyurethane material and preparation method thereof 北京化工大学 2021-05-21 CN disclosed
EP-0394101-B1 Benzothiazepine derivatives, process for their preparation and thereby obtained intermediates, their use as medicines and compositions containing them ROUSSEL UCLAF (FR) 1994-08-24 EP disclosed
EP-0394101-A1 Benzothiazepine derivatives, process for their preparation and thereby obtained intermediates, their use as medicines and compositions containing them ROUSSEL-UCLAF (FR) 1990-10-24 EP disclosed