SCHEMBL10513637

SCHEMBL10513637

S=C1C=c2cccnc2=N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.38
TDP1 Q9NUW8 2/20 0.31
HSP90AA1 P07900 2/20 0.31
TDP2 O95551 1/20 0.31
NSD2 O96028 1/20 0.31
ABL1 P00519 1/20 0.31
PLCG1 P19174 1/20 0.31
CES1 P23141 1/20 0.31
PAX8 Q06710 1/20 0.31
RIN1 Q13671 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
MEN1 O00255 1/20 0.31
THRB P10828 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
GAA P10253 1/20 0.31
NPC1 O15118 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL668836 0.74 BRD4 (0.38) BRD4TDP1HSP90AA1TDP2NSD2
Hydrochloric Acid SCHEMBL27167119 0.72 BRD4 (0.37) BRD4TDP1HSP90AA1TDP2NSD2
Hydrochloric Acid SCHEMBL27167121 0.72 BRD4 (0.37) BRD4TDP1HSP90AA1TDP2NSD2
SCHEMBL27713894 0.72 BRD4 (0.37) BRD4TDP1HSP90AA1TDP2NSD2
SCHEMBL670066 0.71 BRD4 (0.36) BRD4TDP1TDP2NSD2ABL1
SCHEMBL27414230 0.69 BRD4 (0.35) BRD4NOS3NOS1NOS2
SCHEMBL4640929 0.65 HTT (0.33) TDP1HSP90AA1TDP2NSD2ABL1
SCHEMBL4646997 0.62 HTT (0.34) TDP1HSP90AA1KDM4EMAPTGMNN
SCHEMBL1665761 0.61 TDP2 (0.32) BRD4TDP1TDP2NSD2ABL1
SCHEMBL1712089 0.61 TDP2 (0.32) BRD4TDP1TDP2NSD2ABL1

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-0347698-A1 Heterobicyclic compounds having antiinflammatory activity SCHERING CORPORATION (US) 1989-12-27 EP claimed