SCHEMBL8733256

SCHEMBL8733256

NNS(=O)(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.36
TSHR P16473 3/20 0.36
TP53 P04637 1/20 0.36
EPHX1 P07099 1/20 0.36
EPHX2 P34913 1/20 0.36
CDK9 P50750 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
CYP3A4 P08684 4/20 0.35
TDP1 Q9NUW8 3/20 0.35
LMNA P02545 3/20 0.35
CYP2C19 P33261 2/20 0.35
IDO1 P14902 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
PTGS2 P35354 1/20 0.35
CTSD P07339 1/20 0.34
MAPT P10636 3/20 0.32
BLM P54132 2/20 0.32
PMP22 Q01453 2/20 0.32

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
SCHEMBL10639940 0.71 NPSR1 (0.38) SMN1; SMN2TSHRTP53EPHX1EPHX2
SCHEMBL278265 0.71 TSHR (0.39) SMN1; SMN2TSHRCYP3A4TDP1CYP2C19
Benzene SCHEMBL28958130 0.71 TSHR (0.39) SMN1; SMN2TSHRCYP3A4TDP1CYP2C19
SCHEMBL5042529 0.67 CES1 (0.33) SMN1; SMN2TSHRCYP3A4TDP1CYP2C19
SCHEMBL8468773 0.64 BBOX1 (0.37) TSHRTDP1LMNAMAPTALDH1A1
SCHEMBL12504005 0.64 DBH (0.39) SMN1; SMN2TSHRCYP3A4TDP1LMNA
SCHEMBL776323 0.64 CES1 (0.35) TSHRALDH1A1CES1
SCHEMBL776612 0.62 CYP2D6 (0.31) TSHRLMNACYP2D6ALDH1A1MAPK1
SCHEMBL778642 0.62 CES1 (0.31) SMN1; SMN2CYP3A4TDP1MAPTKDM4E
SCHEMBL3884017 0.60 CES2 (0.45) SMN1; SMN2TSHRCYP3A4TDP1LMNA

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
EP-0840906-A2 PROCESS FOR PRODUCING A PHOTOTHERMOGRAPHIC RECORDING MATERIAL AGFA-GEVAERT N.V. (BE) 1998-05-13 EP disclosed
WO-1997004357-A2 PHOTOTHERMOGRAPHIC RECORDING MATERIAL AGFA-GEVAERT NAAMLOZE VENNOOTSCHAP (BE) 1997-02-06 WO disclosed