SCHEMBL4770133

SCHEMBL4770133

Cc1nc(Cl)c([N+](=O)[O-])c(Cl)c1C.Cc1nc(Cl)c([N+](=O)[O-])c(NCc2ccccc2)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 6/20 0.44
LMNA P02545 5/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.43
CYP3A4 P08684 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CRHBP P24387 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
CRHR2 Q13324 1/20 0.43
HTT P42858 2/20 0.42
EGFR P00533 1/20 0.42
MAPK1 P28482 2/20 0.41
POLB P06746 2/20 0.41
TP53 P04637 1/20 0.40
BLM P54132 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
SCHEMBL2574294 0.95 SMN1; SMN2 (0.47) SMN1; SMN2MAPTLMNAALDH1A1HPGD
SCHEMBL4773504 0.81 MAPT (0.45) SMN1; SMN2MAPTLMNAALDH1A1CYP3A4
SCHEMBL4776209 0.79 LMNA (0.41) SMN1; SMN2MAPTLMNAALDH1A1HPGD
SCHEMBL4773953 0.78 POLB (0.40) SMN1; SMN2MAPTALDH1A1CYP3A4MEN1
SCHEMBL212307 0.77 EGFR (0.60) SMN1; SMN2MAPTLMNAALDH1A1HPGD
SCHEMBL843365 0.76 TSHR (0.42) SMN1; SMN2MAPTALDH1A1MAPK1POLB
SCHEMBL4775893 0.76 MAPT (0.48) SMN1; SMN2MAPTLMNAALDH1A1CYP3A4
SCHEMBL13527456 0.74 POLB (0.42) SMN1; SMN2MAPTLMNAALDH1A1HTT
SCHEMBL27614131 0.74 MAPT (0.43) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL2572685 0.73 SMN1; SMN2 (0.43) SMN1; SMN2MAPTLMNAALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1987030-A1 3 -DEAZAPURINE DERIVATIVES AS TLR7 MODULATORS Pfizer Limited (GB) 2008-11-05 EP disclosed
WO-2007093901-A1 3 -DEAZAPURINE DERIVATIVES AS TLR7 MODULATORS PFIZER LIMITED (GB) 2007-08-23 WO disclosed