SCHEMBL7469746

SCHEMBL7469746

Nc1ccnc2c([N+](=O)[O-])cnn12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 2/20 0.42
CLK1 P49759 1/20 0.36
GSK3B P49841 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 2/20 0.35
ROCK1 Q13464 1/20 0.33
DHFR P00374 1/20 0.33
LMNA P02545 1/20 0.33
XDH P47989 1/20 0.33
DYRK1A Q13627 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
PKM P14618 1/20 0.33

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
Hydrochloric Acid SCHEMBL8151266 0.98 POLB (0.46) POLBL3MBTL1ALDH1A1CLK1GSK3B
SCHEMBL7474235 0.81 L3MBTL1 (0.50) POLBL3MBTL1ALDH1A1CYP1A2CYP2C9
SCHEMBL7791793 0.81 L3MBTL1 (0.54) POLBL3MBTL1ALDH1A1CYP1A2CYP2C9
SCHEMBL4702080 0.76 ALDH1A1 (0.52) POLBL3MBTL1ALDH1A1MAPTLMNA
SCHEMBL4701436 0.76 CLK4 (0.56) POLBL3MBTL1ALDH1A1MAPTDYRK1A
SCHEMBL4699721 0.74 ALDH1A1 (0.47) POLBL3MBTL1ALDH1A1CYP1A2CYP2C9
SCHEMBL4700445 0.73 KDM4E (0.48) POLBL3MBTL1ALDH1A1MAPT
SCHEMBL4699130 0.73 SMN1; SMN2 (0.50) POLBL3MBTL1ALDH1A1MAPT
SCHEMBL4703702 0.72 L3MBTL1 (0.55) POLBL3MBTL1ALDH1A1GSK3BCDK5
Hydrochloric Acid SCHEMBL6805756 0.72 SMPD3 (0.48) POLBALDH1A1CYP1A2CYP2C9CYP2C19

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0847271-B1 PYRAZOLO-(1,5-a)-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND HAIR DYES CONTAINING THESE OREAL (FR) 2002-05-02 EP disclosed
EP-0847271-A1 PYRAZOLO-(1,5-a)-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND HAIR DYES CONTAINING THESE L'OREAL (FR) 1998-06-17 EP disclosed
WO-1997049378-A1 PYRAZOLO-(1,5-a)-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND HAIR DYES CONTAINING THESE L'OREAL (FR) 1997-12-31 WO disclosed