SCHEMBL838

SCHEMBL838

Cn1c2c(c3ccccc31)/C(=N/O)CCC2

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.52
ALOX15 P16050 2/20 0.52
MAPT P10636 1/20 0.52
KDM4E B2RXH2 3/20 0.45
CYP1A2 P05177 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HSD17B10 Q99714 2/20 0.43
TSHR P16473 1/20 0.42
UBE2N P61088 1/20 0.42
RECQL P46063 1/20 0.41
MAOA P21397 1/20 0.40
CYP2D6 P10635 1/20 0.40
GPR3 P46089 1/20 0.40

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
SCHEMBL839 1.00 MAPK1 (0.52) MAPK1ALOX15MAPTKDM4ECYP1A2
SCHEMBL1122 0.91 ALOX15 (0.59) MAPK1ALOX15MAPTKDM4ECYP1A2
SCHEMBL1121 0.91 ALOX15 (0.59) MAPK1ALOX15MAPTKDM4ECYP1A2
SCHEMBL12857671 0.86 MAOA (0.51) MAPK1ALOX15MAPTKDM4ECYP1A2
SCHEMBL1004843 0.80 MAPT (0.45) MAPK1ALOX15MAPTKDM4ECYP1A2
SCHEMBL1004842 0.80 MAPT (0.45) MAPK1ALOX15MAPTKDM4ECYP1A2
SCHEMBL5068719 0.77 LMNA (0.39) MAPK1ALOX15MAPTKDM4ECYP1A2
SCHEMBL14311434 0.77 LMNA (0.39) MAPK1ALOX15MAPTKDM4ECYP1A2
SCHEMBL5068699 0.77 LMNA (0.39) MAPK1ALOX15MAPTKDM4ECYP1A2
SCHEMBL7285293 0.77 KDM4E (0.41) MAPK1ALOX15MAPTKDM4ECYP1A2

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
US-5360800-A Tetrahydro-1H-pyrido[4,3-b]indol-1-one derivatives GLAXO GROUP LIMITED (GB) 1994-11-01 US disclosed