SCHEMBL7469276

SCHEMBL7469276

O=C(c1cccnc1N1CCC(Nc2ncnc3cc(N4CCNCC4)c([N+](=O)[O-])cc23)CC1)c1cccnc1N1CCC(Nc2ncnc3cc(N4CCNCC4)c([N+](=O)[O-])cc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
CYP1A2 P05177 3/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
PRKD1 Q15139 1/20 0.38
CYP3A4 P08684 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
ALDH1A1 P00352 6/20 0.38
AURKA O14965 1/20 0.38
RPS6KB1 P23443 1/20 0.38
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
JAK2 O60674 2/20 0.37
JAK3 P52333 2/20 0.37
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL7463150 0.90 CYP1A2 (0.41) MAPTCYP1A2CYP2C9CYP2C19HTT
SCHEMBL7463135 0.82 CNR1 (0.53) MAPTALDH1A1CNR1CNR2LMNA
SCHEMBL7469270 0.81 KMT2A (0.49) MAPTCYP1A2CYP3A4CLK4ALDH1A1
SCHEMBL7464723 0.80 PDGFRB (0.51) MAPT
SCHEMBL7458931 0.79 NSD2 (0.56) MAPTHTTALDH1A1CNR1CNR2
SCHEMBL7470513 0.78 CNR1 (0.53) MAPTHTTALDH1A1CNR1CNR2
SCHEMBL7467225 0.78 PAK1 (0.46) MAPTHTTALDH1A1LMNASMN1; SMN2
SCHEMBL7468264 0.78 PAK1 (0.48)
SCHEMBL7466535 0.77 CYP1A2 (0.38) MAPTCYP1A2CYP2C9CYP2C19HTT
SCHEMBL7475891 0.77 ACHE (0.54) MAPTCYP1A2CYP2C19HTTCYP3A4

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