SCHEMBL29852200

SCHEMBL29852200

CSC(=S)NN=C(c1ccccn1)c1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTH P32929 3/20 0.55
HSP90AA1 P07900 2/20 0.51
HKDC1 Q2TB90 2/20 0.51
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 3/20 0.50
KMT2A Q03164 3/20 0.50
LMNA P02545 3/20 0.50
OPRK1 P41145 2/20 0.50
MEN1 O00255 2/20 0.50
GAA P10253 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
TOP2A P11388 2/20 0.49
AGTR1 P30556 1/20 0.49
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 2/20 0.45
NPC1 O15118 1/20 0.45
CCR6 P51684 1/20 0.45

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
SCHEMBL8738064 1.00 CTH (0.55) CTHHSP90AA1HKDC1ALDH1A1KDM4E
SCHEMBL7086491 0.91 AGTR1 (0.62) CTHHSP90AA1HKDC1ALDH1A1KDM4E
SCHEMBL7086789 0.91 AGTR1 (0.62) CTHHSP90AA1HKDC1ALDH1A1KDM4E
SCHEMBL7086790 0.91 AGTR1 (0.62) CTHHSP90AA1HKDC1ALDH1A1KDM4E
SCHEMBL5522739 0.86 HKDC1 (0.67) CTHHSP90AA1HKDC1ALDH1A1KDM4E
SCHEMBL5522740 0.86 HKDC1 (0.67) CTHHSP90AA1HKDC1ALDH1A1KDM4E
SCHEMBL30816738 0.86 HKDC1 (0.67) CTHHSP90AA1HKDC1ALDH1A1KDM4E
SCHEMBL12955842 0.82 TOP2A (0.56) HSP90AA1HKDC1ALDH1A1KDM4EOPRK1
SCHEMBL31690659 0.82 TOP2A (0.59) HSP90AA1HKDC1ALDH1A1KDM4EKMT2A
SCHEMBL1024423 0.79 TOP2A (0.75) HSP90AA1HKDC1ALDH1A1KDM4ELMNA

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
EP-4057813-A1 COMPOSITIONS AND METHODS FOR TREATING HUANGLONGBING DISEASE IN CITRUS New Life Crop Sciences LLC (US) 2022-09-21 EP claimed
EP-4057813-A1 COMPOSITIONS AND METHODS FOR TREATING HUANGLONGBING DISEASE IN CITRUS New Life Crop Sciences LLC (US) 2022-09-21 EP disclosed