SCHEMBL9054740

SCHEMBL9054740

O=S(=O)([O-])CCC[n+]1c(SCCCS(=O)(=O)O)sc2ccccc21

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.73
HPGD P15428 5/20 0.73
ALDH1A1 P00352 6/20 0.72
POLB P06746 3/20 0.72
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
PKM P14618 1/20 0.45
OPRK1 P41145 1/20 0.45
HTT P42858 1/20 0.45
BLM P54132 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
THRB P10828 2/20 0.43
RECQL P46063 2/20 0.43
KDM4E B2RXH2 3/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 2/20 0.36
LMNA P02545 1/20 0.36
PABPC1 P11940 1/20 0.34
EIF4H Q15056 1/20 0.34

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
SCHEMBL3324706 0.95 MAPT (0.65) MAPTHPGDALDH1A1POLBMEN1
SCHEMBL9156344 0.84 MAPT (0.77) MAPTHPGDALDH1A1POLBMEN1
SCHEMBL16865132 0.81 MAPT (0.71) MAPTHPGDALDH1A1POLBMEN1
SCHEMBL10937253 0.81 MAPT (0.93) MAPTHPGDALDH1A1POLBMEN1
SCHEMBL8942584 0.79 HPGD (0.90) MAPTHPGDALDH1A1POLBMEN1
Water SCHEMBL11633410 0.79 HPGD (0.49) MAPTHPGDALDH1A1POLBMEN1
SCHEMBL3191317 0.75 MAPT (0.74) MAPTHPGDALDH1A1POLBMEN1
SCHEMBL3191322 0.75 HSD17B10 (0.59) MAPTHPGDALDH1A1POLBMEN1
SCHEMBL10940977 0.74 MAPT (0.47) MAPTHPGDALDH1A1POLBMEN1
Water SCHEMBL1044054 0.74 HSD17B10 (0.58) MAPTHPGDALDH1A1POLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8127582-A None JP disclosed
JP-H08127582-A METHINE COMPOUND FUJI PHOTO FILM CO LTD 1996-05-21 JP disclosed