SCHEMBL29080673

SCHEMBL29080673

N=C=O.O=C(O)c1ccsc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.79
LCK P06239 1/20 0.79
FYN P06241 1/20 0.79
CES2 O00748 1/20 0.56
CES1 P23141 1/20 0.56
HDAC1 Q13547 1/20 0.48
HPGD P15428 1/20 0.46
HSD11B1 P28845 1/20 0.41
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
TSHR P16473 2/20 0.39
TP53 P04637 1/20 0.39
GPR52 Q9Y2T5 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
ALOX12 P18054 1/20 0.37
HTT P42858 1/20 0.37
ACMSD Q8TDX5 1/20 0.36

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
SCHEMBL152166 0.89
SCHEMBL8572543 0.87
Water SCHEMBL28293840 0.87
SCHEMBL31613087 0.87
Hydrochloric Acid SCHEMBL1323871 0.87
SCHEMBL10899326 0.87
Formaldehyde SCHEMBL27868520 0.85 DAO (0.91) DAOLCKFYNCES2CES1
SCHEMBL9092113 0.82 DAO (0.76) DAOLCKFYNCES2CES1
SCHEMBL29035681 0.79 DAO (0.79) DAOLCKFYNCES2CES1
SCHEMBL7784357 0.79 DAO (0.79) DAOLCKFYNCES2CES1

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
CN-114525685-B Double pillow 吉祥三宝高科纺织有限公司 2023-09-19 CN disclosed