SCHEMBL28820645

SCHEMBL28820645

C=C(C)n1c(=S)[nH]c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.55
PSMB8 P28062 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
ALDH1A1 P00352 6/20 0.50
HPGD P15428 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
RAB9A P51151 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
MAPT P10636 2/20 0.43
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
MPO P05164 3/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL29356336 0.79 DAO (0.55) MEN1KMT2A
SCHEMBL507863 0.79 DAO (0.55) MEN1KMT2A
SCHEMBL7594852 0.78 RXFP1 (0.53) RXFP1PSMB8NPSR1ALDH1A1HPGD
SCHEMBL11231429 0.77 DAO (0.53) MEN1KMT2A
SCHEMBL7982429 0.75 MPO (0.51) RXFP1PSMB8NPSR1ALDH1A1HPGD
SCHEMBL7594850 0.75 RXFP1 (0.50) RXFP1PSMB8NPSR1ALDH1A1HPGD
SCHEMBL15375776 0.71 PSMB8 (0.46) RXFP1PSMB8NPSR1ALDH1A1HPGD
SCHEMBL259052 0.71 PSMB8 (1.00) RXFP1PSMB8NPSR1ALDH1A1HPGD
SCHEMBL7594824 0.69 MAPT (0.58) RXFP1PSMB8NPSR1ALDH1A1HPGD
SCHEMBL7641800 0.69 MPO (0.58) RXFP1PSMB8NPSR1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114907514-A Multifunctional fiber and preparation method and application thereof 北京洁尔爽高科技有限公司 2022-08-16 CN disclosed