SCHEMBL24831781

SCHEMBL24831781

C=Cn1cnc(-c2ccc(F)cc2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.36
RAB9A P51151 6/20 0.36
KDM5B Q9UGL1 1/20 0.35
ALDH1A3 P47895 2/20 0.34
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 3/20 0.34
NFKB1 P19838 2/20 0.33
NFKB2 Q00653 2/20 0.33
RELA Q04206 2/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TGFBR1 P36897 1/20 0.33
TGFBR2 P37173 1/20 0.33

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
SCHEMBL6671947 0.81 RAB9A (0.45) NPC1RAB9AALDH1A1KDM4ECYP3A4
SCHEMBL12427197 0.72 CYP2E1 (0.51) NPC1RAB9AKDM5BALDH1A3ALDH1A1
SCHEMBL15034498 0.70 NPC1 (0.57) NPC1RAB9AKDM5BLMNASMN1; SMN2
SCHEMBL27332984 0.68 NPC1 (0.36) NPC1RAB9AKDM5BALDH1A3ALDH1A1
SCHEMBL2546157 0.68 KDM5A (0.42) NPC1RAB9AKDM5BALDH1A1CYP11B1
SCHEMBL21759194 0.68 MAPK14 (0.44) NPC1RAB9AALDH1A3ALDH1A1KDM4E
SCHEMBL27848313 0.68 SCN4A (0.42) NPC1RAB9AALDH1A3ALDH1A1KDM4E
SCHEMBL9219546 0.67 QPCT (0.43) KDM5BCYP11B1CYP11B2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL2546136 0.67 KDM5B (0.41) NPC1RAB9AKDM5BALDH1A1NFKB1
SCHEMBL21430053 0.67 NPC1 (0.61) NPC1RAB9AALDH1A3KDM4ENPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4367098-A1 VINYL THIANTHRENIUM COMPOUND, PROCESS FOR ITS PREPARATION AND ITS USE FOR TRANSFERRING A VINYL GROUP Studiengesellschaft Kohle gGmbH (DE) 2024-05-15 EP disclosed
CN-117651696-A Vinyl thianthrene onium compounds, method for the production thereof and use thereof for transferring vinyl groups 科勒研究非盈利有限责任公司 2024-03-05 CN disclosed
WO-2023280638-A9 VINYL THIANTHRENIUM COMPOUND, PROCESS FOR ITS PREPARATION AND ITS USE FOR TRANSFERRING A VINYL GROUP STUDIENGESELLSCHAFT KOHLE GGMBH (DE) 2024-01-18 WO disclosed
WO-2023280638-A1 VINYL THIANTHRENIUM COMPOUND, PROCESS FOR ITS PREPARATION AND ITS USE FOR TRANSFERRING A VINYL GROUP STUDIENGESELLSCHAFT KOHLE MBH (DE) 2023-01-12 WO disclosed
WO-2023280638-A1 VINYL THIANTHRENIUM COMPOUND, PROCESS FOR ITS PREPARATION AND ITS USE FOR TRANSFERRING A VINYL GROUP STUDIENGESELLSCHAFT KOHLE MBH (DE) 2023-01-12 WO disclosed
EP-4112600-A1 VINYL THIANTHRENIUM COMPOUND, PROCESS FOR ITS PREPARATION AND ITS USE FOR TRANSFERRING A VINYL GROUP Studiengesellschaft Kohle mbH (DE) 2023-01-04 EP disclosed