SCHEMBL28820618

SCHEMBL28820618

C=CCn1c(S)nnc1-c1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
TDP1 Q9NUW8 2/20 0.54
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 4/20 0.42
POLB P06746 3/20 0.40
HPGD P15428 3/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
RAB9A P51151 2/20 0.37
ALPG P10696 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL13401049 0.84 L3MBTL1 (0.55) MAPTALDH1A1KDM4EHPGDCYP2C9
SCHEMBL14557033 0.82 L3MBTL1 (0.38) ALDH1A1KDM4EPOLBCYP2C9CYP2C19
SCHEMBL1543961 0.79 TSHR (0.50) TDP1ALDH1A1KDM4EHPGDCYP2C19
SCHEMBL8625324 0.79 CA2 (0.40) MAPTALDH1A1KDM4EHPGDL3MBTL1
SCHEMBL17725832 0.76 ABCC8 (0.40) TDP1ALDH1A1KDM4EPOLBHPGD
SCHEMBL19549107 0.76 ALDH1A1 (0.52) MAPTTDP1ALDH1A1KDM4EHPGD
SCHEMBL4212359 0.76 L3MBTL1 (0.49) MAPTTDP1ALDH1A1KDM4EPOLB
SCHEMBL19604862 0.75 LMNA (0.53) MAPTALDH1A1KDM4EPOLBHPGD
SCHEMBL1104406 0.74 MEN1 (0.55) MAPTALDH1A1KDM4EHPGDCYP2C9
SCHEMBL4208984 0.74 TSHR (0.59) MAPTALDH1A1KDM4EPOLBHPGD

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