SCHEMBL8440903

SCHEMBL8440903

COc1ccc(S(=O)(=O)NCCSC(=O)COc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.62
SGMS1 Q86VZ5 3/20 0.57
PKM P14618 2/20 0.56
POLB P06746 2/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
HTT P42858 2/20 0.54
CYP2C19 P33261 2/20 0.53
CYP2C9 P11712 1/20 0.53
TBXA2R P21731 1/20 0.51
TBXAS1 P24557 1/20 0.51
KDM4E B2RXH2 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
MAPT P10636 1/20 0.49
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49
RECQL P46063 1/20 0.49

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
SCHEMBL8442526 0.90 TBXA2R (0.57) ALDH1A1SGMS1PKMSMN1; SMN2MEN1
SCHEMBL8437961 0.89 MEN1 (0.54) ALDH1A1SGMS1MEN1KMT2AHTT
SCHEMBL8441480 0.87 SGMS1 (0.56) ALDH1A1SGMS1MEN1KMT2AHTT
SCHEMBL8440588 0.87 ALDH1A1 (0.60) ALDH1A1SGMS1PKMSMN1; SMN2MEN1
SCHEMBL8442977 0.87 SGMS1 (0.55) ALDH1A1SGMS1PKMMEN1KMT2A
SCHEMBL8441169 0.85 ALDH1A1 (0.63) ALDH1A1SGMS1PKMPOLBSMN1; SMN2
SCHEMBL8438768 0.84 ALDH1A1 (0.52) ALDH1A1SGMS1PKMSMN1; SMN2MEN1
SCHEMBL8437798 0.84 ALDH1A1 (0.59) ALDH1A1SGMS1SMN1; SMN2NPSR1
SCHEMBL7918922 0.81 ALDH1A1 (0.62) ALDH1A1SGMS1PKMPOLBSMN1; SMN2
SCHEMBL8440911 0.81 NAMPT (0.48) ALDH1A1PKMSMN1; SMN2CYP2C9TBXA2R

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
US-5955505-A TREATING NERVE DEGENERATIVE DISORDERS NIPPON SUISAN KAISHA, LTD. (JP) 1999-09-21 US disclosed