SCHEMBL23051998

SCHEMBL23051998

O=S(=O)(NCCC1=CCCCC1)c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.75
L3MBTL1 Q9Y468 1/20 0.65
ALDH1A1 P00352 9/20 0.62
HTT P42858 1/20 0.62
KMT2A Q03164 3/20 0.61
ALOX15 P16050 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
LMNA P02545 2/20 0.61
GAA P10253 1/20 0.61
TSHR P16473 2/20 0.57
TP53 P04637 1/20 0.57
NPSR1 Q6W5P4 3/20 0.56
RECQL P46063 1/20 0.56
HPGD P15428 2/20 0.55
KDM4E B2RXH2 1/20 0.55
MAPK1 P28482 1/20 0.55
HSD17B10 Q99714 1/20 0.54
MEN1 O00255 1/20 0.53

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
SCHEMBL23045594 0.92 TDP1 (0.72) TDP1L3MBTL1ALDH1A1HTTKMT2A
SCHEMBL16221401 0.86 TDP1 (0.76) TDP1L3MBTL1ALDH1A1KMT2AALOX15
SCHEMBL23052287 0.84 TDP1 (0.65) TDP1L3MBTL1ALDH1A1HTTALOX15
SCHEMBL23052368 0.82 TDP1 (0.70) TDP1L3MBTL1ALDH1A1HTTKMT2A
SCHEMBL23052427 0.80 TDP1 (0.67) TDP1L3MBTL1ALDH1A1HTTKMT2A
SCHEMBL23052527 0.79 TDP1 (0.66) TDP1L3MBTL1ALDH1A1HTTKMT2A
SCHEMBL23052016 0.78 L3MBTL1 (0.60) TDP1L3MBTL1ALDH1A1HTTKMT2A
SCHEMBL10144085 0.77 TDP1 (0.62) TDP1L3MBTL1ALDH1A1ALOX15SMN1; SMN2
SCHEMBL8349568 0.73 ALDH1A1 (0.79) TDP1ALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL12601567 0.73 ALDH1A1 (0.69) TDP1L3MBTL1ALDH1A1HTTKMT2A

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
WO-2021039824-A1 RNA METHYLTRANSFERASE INHIBITOR, SCREENING METHOD THEREFOR, ANTI-CANCER AGENT EFFICACY ASSESSMENT MARKER, AND KIT FOR EFFECTIVELY PREDICTING FTSJ1 INHIBITOR 国立大学法人 岡山大学 2021-03-04 WO disclosed