SCHEMBL9861793

SCHEMBL9861793

O=S(=O)(O)OSC(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP2D6 P10635 3/20 0.40
MAPK1 P28482 2/20 0.40
LMNA P02545 3/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GMNN O75496 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
PMP22 Q01453 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2C19 P33261 2/20 0.36
SLC6A3 Q01959 2/20 0.36
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 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
SCHEMBL5075498 0.81 KMT2A (0.42) SRCALDH1A1CYP2D6MAPK1LMNA
SCHEMBL1593376 0.77 MAPK1 (0.34) SRCALDH1A1CYP2D6MAPK1KMT2A
Ammonia Solution, Strong SCHEMBL7105727 0.75 SRC (0.36) SRCALDH1A1LMNAKMT2AKDM4E
SCHEMBL2874877 0.71 TSHR (0.43) SRCCYP2D6TDP1TSHRCYP2C19
SCHEMBL1593673 0.71 CA1 (0.33) ALDH1A1CYP2D6TSHRCYP2C19SLC6A3
SCHEMBL23633133 0.68 SRC (0.47) SRCALDH1A1CYP2D6MAPK1LMNA
SCHEMBL27304396 0.68 SMN1; SMN2 (0.41) SRCALDH1A1CYP2D6MAPK1LMNA
SCHEMBL777203 0.68 SRC (0.47) SRCALDH1A1CYP2D6MAPK1LMNA
SCHEMBL4055535 0.68 ALDH1A1 (0.49) SRCALDH1A1CYP2D6MAPK1LMNA
SCHEMBL4054070 0.67 CYP2D6 (0.38) SRCALDH1A1CYP2D6MAPK1LMNA

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
EP-0150168-B1 USE OF METAL SALTS OF THIOSULPHURIC -S-ESTERS AS RUBBER/METAL BONDING PROMOTERS MONSANTO EUROPE S.A./N.V. (BE) 1991-05-08 EP disclosed