SCHEMBL28392201

SCHEMBL28392201

O=C(Nc1ccccc1)OS

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.56
TSHR P16473 2/20 0.56
TP53 P04637 1/20 0.56
EPHX1 P07099 1/20 0.56
EPHX2 P34913 1/20 0.56
CDK9 P50750 1/20 0.56
CLK4 Q9HAZ1 1/20 0.56
NAPRT Q6XQN6 1/20 0.52
HSD17B10 Q99714 1/20 0.52
ALDH1A1 P00352 3/20 0.52
GAA P10253 3/20 0.52
HTT P42858 1/20 0.52
RAB9A P51151 4/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
NPC1 O15118 2/20 0.50
MAPT P10636 1/20 0.50
RECQL P46063 1/20 0.49
HPGD P15428 1/20 0.48
LMNA P02545 2/20 0.48

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
SCHEMBL2244779 0.81 SMN1; SMN2 (0.61) SMN1; SMN2TSHRTP53EPHX1EPHX2
SCHEMBL8827353 0.81 SMN1; SMN2 (0.61) SMN1; SMN2TSHRTP53EPHX1EPHX2
SCHEMBL8612411 0.79 SMN1; SMN2 (0.58) SMN1; SMN2TSHRTP53EPHX1EPHX2
SCHEMBL282531 0.79 SMN1; SMN2 (0.71) SMN1; SMN2TSHRTP53EPHX1EPHX2
SCHEMBL8884482 0.77 SMN1; SMN2 (0.69) SMN1; SMN2TSHRTP53EPHX1EPHX2
SCHEMBL4315341 0.77 SMN1; SMN2 (0.56) SMN1; SMN2TSHRTP53EPHX1EPHX2
SCHEMBL1727069 0.77 SMN1; SMN2 (0.56) SMN1; SMN2TSHRTP53EPHX1EPHX2
SCHEMBL5564047 0.77 SMN1; SMN2 (0.56) SMN1; SMN2TSHRTP53EPHX1EPHX2
SCHEMBL514783 0.77 SMN1; SMN2 (0.56) SMN1; SMN2TSHRTP53EPHX1EPHX2
SCHEMBL27519753 0.77 SMN1; SMN2 (0.56) SMN1; SMN2TSHRTP53EPHX1EPHX2

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
CN-111051276-B Method for producing isocyanates 科思创德国股份有限公司 2022-09-09 CN disclosed
CN-111051276-A Method for producing isocyanates 科思创德国股份有限公司 2020-04-21 CN disclosed