SCHEMBL7510331

SCHEMBL7510331

c1ccc(C2CC2Nc2ccnc3ccccc23)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.47
ADRA1D P25100 2/20 0.47
ADRA1A P35348 2/20 0.47
ADRA1B P35368 2/20 0.47
KDM1A O60341 7/20 0.47
MKNK2 Q9HBH9 1/20 0.47
MAOB P27338 6/20 0.43
MAOA P21397 5/20 0.43
EGFR P00533 2/20 0.43
FERMT2 Q96AC1 1/20 0.43
ERBB2 P04626 1/20 0.43
SRC P12931 1/20 0.41
PTPN1 P18031 1/20 0.40
PTPN11 Q06124 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
SCHEMBL7511005 0.80 KDM1A (0.47) KDM1AMKNK2MAOBMAOAEGFR
SCHEMBL13262990 0.77 KDM1A (0.61) KDM1AMAOBMAOA
SCHEMBL238720 0.77 KDM1A (0.61) KDM1AMAOBMAOA
SCHEMBL238721 0.77 KDM1A (0.61) KDM1AMAOBMAOA
SCHEMBL8614522 0.75 KMT5B (0.47) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL5393762 0.74 HTR1A (0.56) HTR1AADRA1DADRA1AADRA1BEGFR
SCHEMBL11883625 0.72 HTT (0.50) HTR1AADRA1DADRA1AADRA1BEGFR
SCHEMBL30307410 0.71 KMT5B (0.62) HTR1AADRA1DADRA1AADRA1B
SCHEMBL6752938 0.69 HTR1A (0.68) HTR1AADRA1DADRA1AADRA1BEGFR
SCHEMBL31596851 0.69 MAPT (0.47) HTR1AADRA1DADRA1AADRA1BKDM1A

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-0326331-B1 Substituted quinolines and cinnolines DOW AGROSCIENCES LLC (US) 2002-04-17 EP disclosed