SCHEMBL7475664

SCHEMBL7475664

O=CN1CCN(c2cc3ncnc(NCc4ccccc4)c3cc2[N+](=O)[O-])CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.55
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HTT P42858 4/20 0.45
LMNA P02545 3/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LCK P06239 1/20 0.44
GALR3 O60755 2/20 0.44
NR2F2 P24468 2/20 0.44
RAB9A P51151 1/20 0.44
TSHR P16473 1/20 0.43
MAPK1 P28482 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
SCHEMBL7475282 0.92 USP10 (0.48) EGFRALDH1A1MAPTTDP1L3MBTL1
SCHEMBL7458966 0.91 MAPK1 (0.47) EGFRALDH1A1MAPTTDP1L3MBTL1
SCHEMBL7469571 0.90 EGFR (0.56) EGFRALDH1A1MAPTTDP1L3MBTL1
SCHEMBL7468826 0.88 EGFR (0.56) EGFRALDH1A1MAPTTDP1L3MBTL1
SCHEMBL7467033 0.86 EGFR (0.52) EGFRALDH1A1MAPTTDP1L3MBTL1
SCHEMBL7467456 0.86 EGFR (0.52) EGFRALDH1A1MAPTTDP1L3MBTL1
SCHEMBL7468674 0.86 PDE5A (0.57) ALDH1A1SMN1; SMN2
SCHEMBL7470511 0.86 EGFR (0.54) EGFRALDH1A1MAPTTDP1L3MBTL1
SCHEMBL7470206 0.84 EGFR (0.52) EGFRALDH1A1MAPTTDP1L3MBTL1
SCHEMBL7470593 0.83 HTT (0.50) MAPTHTTNR2F2MAPK1

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