SCHEMBL4880326

SCHEMBL4880326

c1cc(-n2cnnn2)n[nH]1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.44
MAPT P10636 2/20 0.41
F2 P00734 1/20 0.41
KCNJ1 P48048 7/20 0.41
POLB P06746 1/20 0.38
BLM P54132 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 5/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL11433853 0.72 NOTUM (0.41) NOTUM
SCHEMBL11545484 0.70 CYP1A2 (0.34)
SCHEMBL12075564 0.68 NOTUM (0.54) NOTUMMAPTF2KCNJ1ALDH1A1
SCHEMBL19856445 0.68 KCNJ1 (0.40) NOTUMMAPTF2KCNJ1ALDH1A1
SCHEMBL6614477 0.68 PIM1 (0.39) MAPTPOLBALDH1A1LMNAHTT
SCHEMBL11582420 0.67
SCHEMBL7902 0.64 ALDH1A1 (0.47) NOTUMMAPTALDH1A1LMNAHTT
SCHEMBL8021654 0.63
SCHEMBL17725689 0.62 KCNJ1 (0.50) NOTUMMAPTF2KCNJ1ALDH1A1
SCHEMBL21379821 0.62

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-1874303-A1 PYRAZOLE COMPOUNDS AS PROSTAGLANDIN RECEPTORS LIGANDS GLAXO GROUP LIMITED (GB) 2008-01-09 EP disclosed
WO-2006114313-A1 PYRAZOLE COMPOUNDS AS PROSTAGLANDIN RECEPTORS LIGANDS GLAXO GROUP LIMITED (GB) 2006-11-02 WO disclosed
CN-1069392-A Herbicidal composition for paddy fields DU PONT (US) 1993-03-03 CN disclosed