SCHEMBL9534233

SCHEMBL9534233

C=CCOC(=O)CCSc1csnn1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP3A4 P08684 1/20 0.33
SNCA P37840 1/20 0.32
GAA P10253 1/20 0.31
KDM4E B2RXH2 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CSNK2A2 P19784 1/20 0.30
CSNK2A1 P68400 1/20 0.30

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
SCHEMBL3802596 0.69
SCHEMBL21768538 0.69 TSHR (0.53) PKMSMN1; SMN2TSHRALDH1A1L3MBTL1
SCHEMBL6997281 0.69 TSHR (0.53) PKMSMN1; SMN2TSHRALDH1A1L3MBTL1
SCHEMBL9811103 0.66 POLB (0.63) SMN1; SMN2TSHRALDH1A1L3MBTL1KMT2A
SCHEMBL56403 0.66 TSHR (0.63) PKMSMN1; SMN2TSHRALDH1A1L3MBTL1
Benzene SCHEMBL28110883 0.65 PKM (0.59) PKMSMN1; SMN2TSHRALDH1A1L3MBTL1
SCHEMBL2053300 0.65 TSHR (0.50) PKMSMN1; SMN2TSHRALDH1A1L3MBTL1
SCHEMBL10454012 0.65 TSHR (0.49) PKMSMN1; SMN2TSHRALDH1A1L3MBTL1
Ammonia Solution, Strong SCHEMBL29207431 0.64 TSHR (0.61) PKMSMN1; SMN2TSHRALDH1A1L3MBTL1
SCHEMBL28545578 0.64 TSHR (0.61) PKMSMN1; SMN2TSHRALDH1A1L3MBTL1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0252474-B1 HYDRAZINE DERIVATIVES AMERICAN CYANAMID COMPANY (US) 1993-04-21 EP disclosed
EP-0525832-A1 Substituted 1,2,3- thiadiazole-4-thiolates AMERICAN CYANAMID COMPANY (US) 1993-02-03 EP disclosed
US-4916237-A Substituted 1,2,3-thiadiazole-4-thiolates AMERICAN CYANAMID COMPANY (US) 1990-04-10 US disclosed
US-4803280-A Substituted 1,2,3-thia-diazole-4-thiolates AMERICAN CYANAMID COMPANY (US) 1989-02-07 US disclosed
EP-0252474-A2 Hydrazine derivatives AMERICAN CYANAMID COMPANY (US) 1988-01-13 EP disclosed