SCHEMBL8329708

SCHEMBL8329708

O=C(Cc1ccccc1)Nc1ccnc2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.66
HTT P42858 6/20 0.63
SMN1; SMN2 Q16637 5/20 0.63
GALR3 O60755 2/20 0.63
RAB9A P51151 2/20 0.63
KDM4E B2RXH2 2/20 0.58
MAPT P10636 2/20 0.58
CLK1 P49759 1/20 0.58
PTPN1 P18031 1/20 0.57
PTPN11 Q06124 1/20 0.57
LMNA P02545 4/20 0.56
HPGD P15428 3/20 0.54
KMT2A Q03164 2/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
BCHE P06276 1/20 0.53
HTR1A P08908 1/20 0.51
ADRA1D P25100 1/20 0.51
ADRA1A P35348 1/20 0.51
ADRA1B P35368 1/20 0.51

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
SCHEMBL28270221 0.82 HTT (0.81) ALDH1A1HTTSMN1; SMN2GALR3RAB9A
SCHEMBL21296571 0.82 PTPN1 (0.60) ALDH1A1HTTSMN1; SMN2GALR3RAB9A
SCHEMBL7370108 0.81 PTPN1 (0.67) ALDH1A1HTTSMN1; SMN2GALR3RAB9A
SCHEMBL5768189 0.80 BCHE (0.60) ALDH1A1HTTSMN1; SMN2GALR3RAB9A
SCHEMBL11900441 0.79 ALDH1A1 (0.70) ALDH1A1HTTSMN1; SMN2GALR3RAB9A
SCHEMBL27579461 0.79 PLK4 (0.73) ALDH1A1HTTSMN1; SMN2KDM4EPTPN1
SCHEMBL21779531 0.79 DNMT1 (0.69) ALDH1A1HTTSMN1; SMN2RAB9AKDM4E
SCHEMBL21879311 0.78 HTT (0.56) ALDH1A1HTTSMN1; SMN2GALR3RAB9A
SCHEMBL1902196 0.78 PTPN1 (0.67) ALDH1A1HTTSMN1; SMN2GALR3RAB9A
SCHEMBL15577910 0.77 KDM4E (0.53) ALDH1A1SMN1; SMN2KDM4EPTPN1PTPN11

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-0556381-B1 N-(4-PYRIDYL OR 4-QUINOLINYL) ARYLACETAMIDE PESTICIDES DOW AGROSCIENCES LLC (US) 1999-04-28 EP claimed
EP-0556381-B1 N-(4-PYRIDYL OR 4-QUINOLINYL) ARYLACETAMIDE PESTICIDES DOW AGROSCIENCES LLC (US) 1999-04-28 EP disclosed