SCHEMBL16601736

SCHEMBL16601736

O=C1C(=O)c2cc(-c3ccc(S)cc3)cnc2-c2ncccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 3/20 0.56
NSD2 O96028 3/20 0.56
PAX8 Q06710 3/20 0.56
ABL1 P00519 1/20 0.56
PLCG1 P19174 1/20 0.56
CES1 P23141 1/20 0.56
RIN1 Q13671 1/20 0.56
GAA P10253 1/20 0.51
PTPRC P08575 2/20 0.47
CTSL P07711 1/20 0.47
CTSS P25774 1/20 0.47
PTPN13 Q12923 1/20 0.47
KMT2A Q03164 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
MEN1 O00255 2/20 0.43
THRB P10828 2/20 0.43
BLM P54132 2/20 0.43
S100A4 P26447 6/20 0.41
CDC25B P30305 3/20 0.41
PADI1 Q9ULC6 3/20 0.38

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
SCHEMBL16601733 0.85 TDP2 (0.56) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL15764216 0.77 TDP2 (0.56) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL12556925 0.76 NPC1 (0.50) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL460433 0.75 TDP2 (1.00) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL29419580 0.75 TDP2 (1.00) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL16601623 0.73 TDP2 (0.66) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL13292088 0.73 TDP2 (0.66) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL3275080 0.73 TDP2 (0.95) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL5696693 0.73 TDP2 (0.95) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL27145668 0.73 TDP2 (0.95) TDP2NSD2PAX8ABL1PLCG1

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
US-8993205-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-03-31 US disclosed
US-8993205-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-03-31 US disclosed