SCHEMBL9253871

SCHEMBL9253871

O=C1NNC=Nc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.38
MAPT P10636 5/20 0.33
KMT2A Q03164 5/20 0.33
LMNA P02545 5/20 0.33
MEN1 O00255 4/20 0.33
GAA P10253 2/20 0.33
CASP3 P42574 1/20 0.33
CASP2 P42575 1/20 0.33
CASP7 P55210 1/20 0.33
CASP6 P55212 1/20 0.33
CASP8 Q14790 1/20 0.33
EIF2AK2 P19525 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAOA P21397 2/20 0.32
MAOB P27338 1/20 0.32
PDGFRA P16234 1/20 0.32
FER P16591 1/20 0.32
LTK P29376 1/20 0.32
CDK8 P49336 1/20 0.32
ACVR1 Q04771 1/20 0.32

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
SCHEMBL5142142 0.71 GSK3B (0.41) GSK3BMAPTKMT2ALMNAMEN1
SCHEMBL28912687 0.70 GRK6 (0.41) KMT2AMEN1PPARGNCOR2USP2
SCHEMBL9255257 0.67 GSK3B (0.37) GSK3BMAPTKMT2ALMNAMEN1
SCHEMBL10974212 0.67 GSK3B (0.37) GSK3BMAPTKMT2ALMNAMEN1
SCHEMBL794250 0.67 PARP11 (0.44) GSK3BMAPTKMT2AMEN1GAA
SCHEMBL334824 0.66 GSK3B (0.44) GSK3BMAPTKMT2ALMNAMEN1
SCHEMBL20504712 0.66 GSK3B (0.44) GSK3BMAPTKMT2ALMNAMEN1
SCHEMBL7980321 0.64 MAPT (0.56) GSK3BMAPTLMNAGAACASP3
SCHEMBL331978 0.64 GSK3B (0.42) GSK3BMAPTKMT2ALMNAMEN1
SCHEMBL27985053 0.63 GRK6 (0.35)

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
US-5441948-A Treatment of angina pectoris EGIS GYOGYSZERGYAR RT. (HU) 1995-08-15 US claimed
US-5441948-A Treatment of angina pectoris EGIS GYOGYSZERGYAR RT. (HU) 1995-08-15 US disclosed
US-5441948-A Treatment of angina pectoris EGIS GYOGYSZERGYAR RT. (HU) 1995-08-15 US disclosed