SCHEMBL7474665

SCHEMBL7474665

O=[N+]([O-])c1cc2c(NCCc3ccc(O)cc3)ncnc2cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.62
NR2F2 P24468 1/20 0.62
RAB9A P51151 1/20 0.52
EGFR P00533 1/20 0.51
TTBK1 Q5TCY1 1/20 0.48
TTBK2 Q6IQ55 1/20 0.48
PDE5A O76074 1/20 0.46
NTRK1 P04629 1/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 2/20 0.43
STAT3 P40763 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALK Q9UM73 1/20 0.43

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
SCHEMBL7469664 0.91 HTT (0.63) HTTNR2F2EGFRTTBK1TTBK2
SCHEMBL7469795 0.90 EGFR (0.60) HTTNR2F2EGFRPDE5ANTRK1
SCHEMBL7475626 0.89 HTT (0.52) HTTNR2F2EGFRPDE5ANTRK1
SCHEMBL7464363 0.89 HTT (0.54) HTTNR2F2EGFRPDE5ANTRK1
SCHEMBL7474181 0.89 MAPK1 (0.56) HTTNR2F2RAB9AEGFRCNR1
SCHEMBL7473897 0.89 EGFR (0.55) HTTNR2F2EGFRMAPK1ALK
SCHEMBL7528662 0.88 EGFR (0.52) HTTNR2F2RAB9AEGFRPDE5A
SCHEMBL7465161 0.87 PDE5A (0.52) HTTEGFRPDE5AMEN1KMT2A
SCHEMBL7462734 0.84 EGFR (0.55) HTTNR2F2EGFRNTRK1CNR1
SCHEMBL7463417 0.83 EGFR (0.49) HTTNR2F2EGFRNTRK1CNR1

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-1229025-A1 NOVEL QUINAZOLINE DERIVATIVES Japan Energy Corporation (JP) 2002-08-07 EP disclosed