SCHEMBL7466525

SCHEMBL7466525

O=C(c1ccc2c(c1)OCO2)N1CCC(Nc2ncnc3cc(N4CCNCC4)c([N+](=O)[O-])cc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
LMNA P02545 3/20 0.47
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
PDE5A O76074 1/20 0.43
ALDH1A1 P00352 8/20 0.42
PAK1 Q13153 4/20 0.42
CNR1 P21554 3/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
CNR2 P34972 2/20 0.40
MAPK1 P28482 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
HTT P42858 2/20 0.39

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
SCHEMBL7463135 0.87 CNR1 (0.53) MAPTLMNAKDM4EALDH1A1PAK1
SCHEMBL7469209 0.86 KMT2A (0.51) MAPTLMNAHSD17B10KDM4ECYP1A2
SCHEMBL7469270 0.84 KMT2A (0.49) MAPTLMNACYP1A2CYP3A4ALDH1A1
SCHEMBL7466535 0.82 CYP1A2 (0.38) MAPTLMNAHSD17B10KDM4ECYP1A2
SCHEMBL7463150 0.80 CYP1A2 (0.41) MAPTHSD17B10KDM4ECYP1A2CYP2D6
SCHEMBL7464723 0.79 PDGFRB (0.51) MAPTPAK1
SCHEMBL7474860 0.79 KMT2A (0.53) MAPTLMNAHSD17B10KDM4ECYP1A2
SCHEMBL7468264 0.78 PAK1 (0.48) PAK1
SCHEMBL7473397 0.77 PDE5A (0.59) PDE5AALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7467225 0.77 PAK1 (0.46) MAPTLMNAALDH1A1PAK1MEN1

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