SCHEMBL6420602

SCHEMBL6420602

CN(C)CCSSSCCN(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.46
HTR1A P08908 2/20 0.46
DRD2 P14416 2/20 0.46
HTR2A P28223 2/20 0.46
ALDH1A1 P00352 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
TSHR P16473 1/20 0.37
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
MAPT P10636 1/20 0.35
HRH4 Q9H3N8 2/20 0.32
CYP1A2 P05177 1/20 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
SCHEMBL8814666 0.93 HTR7 (0.46) HTR7HTR1ADRD2HTR2AALDH1A1
SCHEMBL366049 0.86 HTR7 (0.50) HTR7HTR1ADRD2HTR2AALDH1A1
Hydrochloric Acid SCHEMBL3379346 0.83 HTR7 (0.48) HTR7HTR1ADRD2HTR2AALDH1A1
SCHEMBL15337873 0.78
SCHEMBL15750762 0.75 ALDH1A1 (0.47) HTR7HTR1ADRD2HTR2AALDH1A1
SCHEMBL7202651 0.75
SCHEMBL18215308 0.73 HTR1A (0.40) HTR7HTR1ADRD2HTR2AALDH1A1
SCHEMBL18210498 0.73 TSHR (0.56) HTR7HTR1ADRD2HTR2AALDH1A1
SCHEMBL789073 0.72 HTR7 (0.50) HTR7HTR1ADRD2HTR2AALDH1A1
SCHEMBL20381572 0.71 HTR1A (0.39) HTR7HTR1ADRD2HTR2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6936382-B2 Lithium batteries MOLTECH CORPORATION (US) 2005-08-30 US disclosed
EP-1232536-B1 LITHIUM BATTERIES MOLTECH CORP (US) 2005-03-16 EP disclosed
US-20030180611-A1 Lithium batteries MOLTECH CORPORATION, INC. 2003-09-25 US disclosed
US-6569573-B1 Lithium batteries MOLTECH CORPORATION 2003-05-27 US disclosed