SCHEMBL11036370

SCHEMBL11036370

CC(C)OC(=O)C(C#N)=C(S)S.[KH]

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.43
TSHR P16473 1/20 0.34
ALDH1A1 P00352 3/20 0.34
ADRA1A P35348 1/20 0.32
PDE4D Q08499 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 1/20 0.32
TP53 P04637 1/20 0.32
PTP4A3 O75365 1/20 0.31
PTP4A2 Q12974 1/20 0.31
PTP4A1 Q93096 1/20 0.31
MAPT P10636 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL10991319 0.98 HPGD (0.44) HPGDTSHRALDH1A1ADRA1APDE4D
Potassium Ion SCHEMBL11036367 0.81 HPGD (0.41) HPGDTSHRALDH1A1ADRA1APDE4D
SCHEMBL21230245 0.77 IDO1 (0.40) ALDH1A1
Potassium Ion SCHEMBL11036364 0.76 HPGD (0.43) HPGDTSHRALDH1A1ADRA1APDE4D
SCHEMBL4624472 0.71 HPGD (0.40) HPGDTSHRALDH1A1
SCHEMBL4624468 0.71 HPGD (0.40) HPGDTSHRALDH1A1
SCHEMBL1493330 0.69 ALDH1A1 (0.53) TSHRALDH1A1SMN1; SMN2PTP4A1MAPT
SCHEMBL13007000 0.69 HPGD (0.42) HPGDTSHRALDH1A1TP53
SCHEMBL4624470 0.69 HPGD (0.39) HPGDALDH1A1
SCHEMBL10991690 0.69 TSHR (0.43) TSHRADRA1APDE4DSMN1; SMN2GAA

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
JP-59204187-A None JP disclosed
JP-S59204187-A DITHIOLANE DERIVATIVE, ITS USE AND ITS PREPARATION NIPPON NOHYAKU CO LTD 1984-11-19 JP disclosed