SCHEMBL29375274

SCHEMBL29375274

O=C(O)c1cc(F)c(OCc2ccccc2)c(C2SCCCS2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM1A O60341 5/20 0.45
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
MRGPRX4 Q96LA9 1/20 0.42
PTGER1 P34995 2/20 0.41
NR4A2 P43354 3/20 0.40
NR4A1 P22736 1/20 0.40
NR4A3 Q92570 1/20 0.40
HTR1A P08908 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
FAAH O00519 1/20 0.39
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
GLRA1 P23415 1/20 0.38
SRD5A2 P31213 1/20 0.38
ALOX5AP P20292 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
SCHEMBL22465913 1.00 MEN1 (0.45) MEN1KMT2AKDM1AMAOAMAOB
SCHEMBL30903834 0.95 MEN1 (0.47) MEN1KMT2AKDM1AMAOAMAOB
SCHEMBL29375615 0.88 RAB9A (0.47) MRGPRX4PTGER1NR4A2
SCHEMBL22466074 0.88 RAB9A (0.47) MRGPRX4PTGER1NR4A2
SCHEMBL30903838 0.84 RAB9A (0.49) MRGPRX4PTGER1NR4A2
SCHEMBL15969027 0.80 MEN1 (0.63) MEN1KMT2AMRGPRX4PTGER1NR4A2
SCHEMBL25318666 0.79 LMNA (0.40) KMT2AFAAHLMNA
SCHEMBL31055861 0.79 MEN1 (0.47) MEN1KMT2AKDM1AMAOAMAOB
SCHEMBL22465860 0.76 TAAR1 (0.46) KDM1AMAOAMAOB
SCHEMBL22466085 0.76 SENP5 (0.46) MEN1KMT2ALMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114025847-B Compounds and compositions as modulators of TLR signaling 神经孔疗法股份有限公司 2024-05-24 CN disclosed
EP-3946599-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING Neuropore Therapies, Inc. (US) 2022-02-09 EP disclosed
CN-114025847-A Compounds and compositions as modulators of TLR signaling 神经孔疗法股份有限公司 2022-02-08 CN disclosed