SCHEMBL11620656

SCHEMBL11620656

NC(=S)C(=S)N(c1ccccn1)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.42
HTT P42858 2/20 0.42
TP53 P04637 2/20 0.39
MAPT P10636 4/20 0.38
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 3/20 0.38
POLB P06746 2/20 0.38
BLM P54132 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.38
RECQL P46063 1/20 0.38
MCL1 Q07820 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ADRA2A P08913 2/20 0.37
ADRA2B P18089 2/20 0.37
ADRA2C P18825 2/20 0.37

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
SCHEMBL11117629 0.79 HTT (0.41) NPSR1HTTTP53MAPTALDH1A1
SCHEMBL4298743 0.78 HTT (0.46) NPSR1HTTTP53MAPTALDH1A1
SCHEMBL11121870 0.76 NPSR1 (0.45) NPSR1HTTTP53MAPTALDH1A1
SCHEMBL3726837 0.76 HTT (0.53) NPSR1HTTTP53MAPTALDH1A1
SCHEMBL28966865 0.74 KDM4E (0.39) NPSR1HTTMAPTALDH1A1KMT2A
SCHEMBL845316 0.74 NPC1 (0.40) NPSR1HTTTP53MAPTALDH1A1
SCHEMBL11117623 0.74 NPSR1 (0.44) NPSR1HTTTP53MAPTALDH1A1
Zinc Ion SCHEMBL211347 0.74 NPSR1 (0.44) NPSR1HTTTP53MAPTALDH1A1
SCHEMBL28891452 0.73 HTT (0.50) NPSR1HTTTP53MAPTALDH1A1
SCHEMBL9585217 0.73 ALDH1A1 (0.45) NPSR1HTTTP53MAPTALDH1A1

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
US-4131463-A Electric recording process of images using electron sensitive layer containing trivalent cobalt complex and compound having conjugated π bond system FUJI PHOTO FILM CO., LTD. (JP) 1978-12-26 US disclosed