SCHEMBL9709207

SCHEMBL9709207

O=C1c2ccccc2[N]c2cccnc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 3/20 0.55
NSD2 O96028 3/20 0.55
PAX8 Q06710 3/20 0.55
ABL1 P00519 1/20 0.55
PLCG1 P19174 1/20 0.55
CES1 P23141 1/20 0.55
RIN1 Q13671 1/20 0.55
MEN1 O00255 1/20 0.55
THRB P10828 1/20 0.55
BLM P54132 1/20 0.55
KMT2A Q03164 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
GAA P10253 1/20 0.55
PTPRC P08575 2/20 0.55
CTSL P07711 1/20 0.55
CTSS P25774 1/20 0.55
PTPN13 Q12923 1/20 0.55
ALDH1A1 P00352 2/20 0.52
S100A4 P26447 5/20 0.47
CDC25B P30305 3/20 0.47

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
SCHEMBL17965509 0.84 PTPRC (0.47) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL1750489 0.79 MEN1 (0.58) TDP2PLCG1CES1MEN1THRB
SCHEMBL1749823 0.77 GAA (0.50) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL5915065 0.77 TDP2 (0.81) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL29746876 0.75 GAA (0.78) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL1899280 0.75 PTPRC (0.88) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL29566445 0.75 PTPRC (0.88) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL1103717 0.75 GAA (0.78) TDP2NSD2PAX8ABL1PLCG1
Bromide SCHEMBL28836578 0.74 PTPRC (0.84) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL9267635 0.73 TDP2 (0.74) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0471516-A1 Tricyclic heterocyclic derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-02-19 EP disclosed