SCHEMBL7467287

SCHEMBL7467287

O=[N+]([O-])c1cc2c(NCc3ccco3)ncnc2cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.62
HTT P42858 6/20 0.62
LMNA P02545 5/20 0.62
MAPK1 P28482 3/20 0.57
HPGD P15428 3/20 0.57
TSHR P16473 2/20 0.57
ALDH1A1 P00352 2/20 0.57
NOD2 Q9HC29 1/20 0.57
RAB9A P51151 2/20 0.55
HIF1A Q16665 1/20 0.55
EGFR P00533 2/20 0.53
CLK1 P49759 1/20 0.49
CLK2 P49760 1/20 0.49
CLK3 P49761 1/20 0.49
DYRK1A Q13627 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
DYRK1B Q9Y463 1/20 0.49
POLB P06746 1/20 0.47
PDE5A O76074 1/20 0.47
WNK1 Q9H4A3 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
SCHEMBL7475194 0.82 EGFR (0.66) SMN1; SMN2HTTLMNAMAPK1HPGD
SCHEMBL7472222 0.81 NPC1 (0.62) LMNAMAPK1HPGDTSHRALDH1A1
SCHEMBL7473179 0.80 MAPK1 (0.58) HTTLMNAMAPK1EGFRMAPT
SCHEMBL7468278 0.80 ALDH1A1 (0.56) SMN1; SMN2HTTLMNAMAPK1HPGD
SCHEMBL7464189 0.80 MAPT (0.56) SMN1; SMN2HTTLMNAMAPK1HPGD
SCHEMBL7470683 0.80 KDM4E (0.61) LMNAMAPK1HPGDALDH1A1RAB9A
SCHEMBL7472725 0.79 EGFR (0.61) HTTMAPK1EGFRAURKARPS6KB1
SCHEMBL7465660 0.79 EGFR (0.56) SMN1; SMN2MAPK1ALDH1A1EGFRKDM4E
SCHEMBL7474842 0.79 RXFP1 (0.62) SMN1; SMN2HTTLMNAMAPK1HPGD
SCHEMBL7560008 0.79 MAPK1 (0.50) SMN1; SMN2HTTLMNAMAPK1HPGD

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