SCHEMBL7463135

SCHEMBL7463135

O=C(c1ccccc1)N1CCC(Nc2ncnc3cc(N4CCNCC4)c([N+](=O)[O-])cc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.53
CNR2 P34972 3/20 0.53
ALDH1A1 P00352 4/20 0.47
MAPT P10636 4/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PAK1 Q13153 6/20 0.46
PIK3CD O00329 2/20 0.46
GPR174 Q9BXC1 1/20 0.45
MKNK2 Q9HBH9 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40

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
SCHEMBL7469270 0.91 KMT2A (0.49) CNR1CNR2ALDH1A1MAPTLMNA
SCHEMBL7464723 0.89 PDGFRB (0.51) MAPTPAK1
SCHEMBL7466525 0.87 MAPT (0.47) CNR1CNR2ALDH1A1MAPTLMNA
SCHEMBL7467225 0.86 PAK1 (0.46) ALDH1A1MAPTLMNASMN1; SMN2PAK1
SCHEMBL7463150 0.86 CYP1A2 (0.41) CNR1CNR2ALDH1A1MAPTPAK1
SCHEMBL7475884 0.85 ALDH1A1 (0.54) ALDH1A1MAPTLMNASMN1; SMN2GPR174
SCHEMBL7458931 0.84 NSD2 (0.56) CNR1CNR2ALDH1A1MAPTLMNA
SCHEMBL7470513 0.84 CNR1 (0.53) CNR1CNR2ALDH1A1MAPTLMNA
SCHEMBL7468264 0.83 PAK1 (0.48) PAK1
SCHEMBL7464718 0.82 CYP1A2 (0.37) CNR1CNR2ALDH1A1MAPTLMNA

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