SCHEMBL8540683

SCHEMBL8540683

CC(C)c1ccc(CCNc2ncnc3cc(Cl)ccc23)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 7/20 0.65
CNR1 P21554 3/20 0.60
CNR2 P34972 3/20 0.60
NR2F2 P24468 1/20 0.60
TTBK1 Q5TCY1 1/20 0.54
TTBK2 Q6IQ55 1/20 0.54
STAT1 P42224 1/20 0.54
RXFP1 Q9HBX9 2/20 0.51
PIK3CD O00329 1/20 0.51
PIK3R1 P27986 1/20 0.51
PPARG P37231 1/20 0.51
NR2E3 Q9Y5X4 1/20 0.51
NCOR2 Q9Y618 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 2/20 0.50
MAPK1 P28482 2/20 0.50
EGFR P00533 1/20 0.50
APP P05067 1/20 0.50
PDE5A O76074 1/20 0.50
KDM4E B2RXH2 2/20 0.49

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
SCHEMBL8975149 0.85 HTT (0.71) HTTCNR1CNR2NR2F2TTBK1
SCHEMBL11846406 0.81 KDM4E (0.63) HTTSTAT1RXFP1PIK3CDPIK3R1
SCHEMBL31089994 0.81 RXFP1 (0.56) HTTSTAT1RXFP1PPARGNR2E3
SCHEMBL8542554 0.81 HTT (0.72) HTTCNR1CNR2NR2F2RXFP1
SCHEMBL23339883 0.79 RXFP1 (0.60) HTTSTAT1RXFP1PIK3CDPIK3R1
SCHEMBL19160676 0.78 HTT (0.85) HTTCNR1CNR2NR2F2TTBK1
SCHEMBL11857739 0.77 HDAC1 (0.60) HTTSTAT1RXFP1PIK3CDPIK3R1
SCHEMBL11855329 0.77 HDAC1 (0.60) HTTSTAT1RXFP1PIK3CDPIK3R1
SCHEMBL11849897 0.77 HDAC1 (0.60) HTTSTAT1RXFP1PIK3CDPIK3R1
SCHEMBL17994874 0.77 DNMT3A (0.53) HTTCNR1CNR2SMN1; SMN2MAPK1

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-0326329-B1 Quinazoline derivatives useful as insecticides. DOW AGROSCIENCES LLC (US) 1998-10-28 EP disclosed