SCHEMBL9533005

SCHEMBL9533005

O=C1NCCN1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
GRM2 Q14416 3/20 0.37
AGTR1 P30556 4/20 0.37
AGTR2 P50052 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35

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
SCHEMBL9532996 0.82 AGTR1 (0.36) GRM2AGTR1AGTR2
SCHEMBL8543595 0.80 CASP3 (0.46) MAPT
SCHEMBL6556670 0.80 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL29383126 0.80 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL8120413 0.77 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2AGTR1AGTR2
SCHEMBL6962635 0.76 AKT1 (0.36) AGTR1AGTR2
SCHEMBL8702000 0.76 AGTR1 (0.47) CYP3A4AGTR1AGTR2LTB4R2
SCHEMBL9533000 0.75 AGTR1 (0.37) ALDH1A1AGTR1AGTR2
SCHEMBL588365 0.75 AGTR1 (0.41) ALDH1A1MAPTKDM4EAGTR1AGTR2
SCHEMBL14464087 0.75 AGTR1 (0.43) CYP3A4AGTR1AGTR2LTB4R2

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-0555331-A1 N-SUBSTITUTED IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS. SEARLE & CO (US) 1993-08-18 EP disclosed