SCHEMBL28637348

SCHEMBL28637348

O=C(CS)N(c1ccccn1)c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 3/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
MCL1 Q07820 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HDAC3 O15379 1/20 0.41

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
SCHEMBL14350966 0.82 POLQ (0.50) HTTNPSR1TSHRKMT2APOLB
SCHEMBL6272956 0.79 HTT (0.53) HTTNPSR1TP53TSHRKMT2A
SCHEMBL229105 0.79 HTT (0.53) HTTNPSR1TP53TSHRKMT2A
SCHEMBL935444 0.76 HTT (0.54) HTTNPSR1TP53TSHRKMT2A
SCHEMBL3726837 0.75 HTT (0.53) HTTNPSR1TP53TSHRKMT2A
SCHEMBL9069781 0.74 LMNA (0.48) HTTNPSR1TP53TSHRKMT2A
SCHEMBL9585211 0.73 NPSR1 (0.47) HTTNPSR1TP53TSHRKMT2A
SCHEMBL19512684 0.73 NPSR1 (0.47) HTTNPSR1TP53TSHRKMT2A
SCHEMBL7981944 0.73 PTGIR (0.46) HTTNPSR1TSHRKMT2APOLB
SCHEMBL7980229 0.73 NPC1 (0.66) HTTNPSR1TP53TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108250133-B fluorescence-Raman dual-probe material for detecting zinc ions and preparation method thereof 上海应用技术大学 2021-07-20 CN claimed
CN-108250133-B fluorescence-Raman dual-probe material for detecting zinc ions and preparation method thereof 上海应用技术大学 2021-07-20 CN disclosed
CN-108250133-B fluorescence-Raman dual-probe material for detecting zinc ions and preparation method thereof 上海应用技术大学 2021-07-20 CN disclosed