SCHEMBL7475796

SCHEMBL7475796

O=[N+]([O-])c1cc2c(NCc3cccs3)ncnc2cc1N1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.49
MAPK1 P28482 4/20 0.49
MAPT P10636 2/20 0.49
NPC1 O15118 1/20 0.48
PKM P14618 1/20 0.48
CLK4 Q9HAZ1 14/20 0.45
DYRK1A Q13627 6/20 0.45
ALDH1A1 P00352 5/20 0.45
CYP2D6 P10635 5/20 0.45
CYP2C19 P33261 5/20 0.45
HSD17B10 Q99714 4/20 0.45
TSHR P16473 4/20 0.45
CYP2C9 P11712 3/20 0.45
RECQL P46063 3/20 0.45
CLK1 P49759 2/20 0.45
ALOX15 P16050 2/20 0.45
KDM4E B2RXH2 1/20 0.45
EGFR P00533 1/20 0.45
HPGD P15428 1/20 0.45
CLK2 P49760 1/20 0.45

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
SCHEMBL7468292 0.97 LMNA (0.46) LMNAMAPK1MAPTNPC1PKM
SCHEMBL7462496 0.91 WDR5 (0.40) LMNAMAPK1MAPTNPC1PKM
SCHEMBL7459991 0.90 LMNA (0.52) LMNAMAPK1MAPTNPC1PKM
SCHEMBL7476400 0.88 MAPT (0.41) LMNAMAPK1MAPTNPC1PKM
SCHEMBL7468826 0.85 EGFR (0.56) LMNAMAPK1MAPTALDH1A1TSHR
SCHEMBL7468278 0.84 ALDH1A1 (0.56) LMNAMAPK1MAPTNPC1PKM
SCHEMBL7469783 0.83 ALDH1A1 (0.48) LMNAMAPK1MAPTDYRK1AALDH1A1
SCHEMBL7475684 0.83 EGFR (0.53) LMNAMAPTALDH1A1EGFRKMT2A
SCHEMBL7469725 0.82 ALDH1A1 (0.50) MAPK1MAPTALDH1A1EGFRHPGD
SCHEMBL7470206 0.82 EGFR (0.52) LMNAMAPTALDH1A1CYP2C19CYP2C9

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