SCHEMBL8327779

SCHEMBL8327779

CCCCc1nc2cccnc2n1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.60
AGTR1 P30556 1/20 0.55
AGTR2 P50052 1/20 0.55
ENPP2 Q13822 1/20 0.55
ALDH1A1 P00352 1/20 0.53
MAPT P10636 3/20 0.53
LMNA P02545 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
PDE4A P27815 2/20 0.51
PDE4B Q07343 2/20 0.51
PDE4C Q08493 2/20 0.51
PDE4D Q08499 2/20 0.51
POLB P06746 1/20 0.51
THRB P10828 1/20 0.50
TLR7 Q9NYK1 1/20 0.48

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
SCHEMBL9042554 0.83 MAPT (0.45) TP53AGTR1AGTR2ENPP2ALDH1A1
SCHEMBL8326844 0.83 AGTR1 (0.60) TP53AGTR1AGTR2ENPP2ALDH1A1
SCHEMBL4959118 0.83 PDE4A (0.77) AGTR1AGTR2ALDH1A1MAPTLMNA
SCHEMBL7853694 0.81 AGTR1 (0.71) AGTR1AGTR2ENPP2ALDH1A1LMNA
SCHEMBL9121774 0.80 AGTR1 (0.57) TP53AGTR1AGTR2ENPP2ALDH1A1
SCHEMBL9041645 0.80 AGTR1 (0.48) TP53AGTR1AGTR2ENPP2ALDH1A1
SCHEMBL15726068 0.79 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DTLR7
SCHEMBL7850660 0.79 ALDH1A1 (0.64) TP53AGTR1AGTR2ENPP2ALDH1A1
SCHEMBL9571513 0.77 AGTR1 (0.48) AGTR1AGTR2ENPP2ALDH1A1MAPT
SCHEMBL7851373 0.76 AGTR1 (0.75) AGTR1AGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4300882-A None JP disclosed
EP-0709377-B1 Process for producing quinolin-2-yl benzoic acid compounds ASAHI GLASS CO LTD (JP) 1999-09-29 EP disclosed
EP-0709377-A1 Process for producing quinolin-2-yl benzoic acid compounds ASAHI GLASS COMPANY LTD. (JP) 1996-05-01 EP disclosed
JP-H04300882-A IMIDAZO(4,5-B)PYRIMIDINE DERIVATIVE TAISHO PHARMACEUT CO LTD 1992-10-23 JP disclosed