SCHEMBL7469571

SCHEMBL7469571

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

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.56
SIRT6 Q8N6T7 2/20 0.53
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 3/20 0.48
HTT P42858 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
HRH4 Q9H3N8 4/20 0.47
LCK P06239 1/20 0.47
HTR3A P46098 1/20 0.47
PDE5A O76074 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL7473166 0.91 HTR6 (0.55) EGFRSIRT6ALDH1A1MAPTLMNA
SCHEMBL7465055 0.91 HTR6 (0.55) EGFRSIRT6MAPTLMNAHTT
SCHEMBL7475664 0.90 EGFR (0.55) EGFRALDH1A1MAPTTDP1L3MBTL1
SCHEMBL7467033 0.89 EGFR (0.52) EGFRALDH1A1MAPTTDP1L3MBTL1
SCHEMBL7467456 0.89 EGFR (0.52) EGFRALDH1A1MAPTTDP1L3MBTL1
SCHEMBL7468826 0.89 EGFR (0.56) EGFRALDH1A1MAPTTDP1L3MBTL1
SCHEMBL7470511 0.87 EGFR (0.54) EGFRALDH1A1MAPTTDP1L3MBTL1
SCHEMBL7459991 0.86 LMNA (0.52) EGFRALDH1A1MAPTLMNAKDM4E
SCHEMBL7464189 0.85 MAPT (0.56) ALDH1A1MAPTTDP1LMNAHTT
SCHEMBL7470206 0.85 EGFR (0.52) EGFRALDH1A1MAPTTDP1L3MBTL1

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