SCHEMBL11290683

SCHEMBL11290683

CCn1c(-c2cccc(OC)c2)nc2c3ccccc3ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK2 Q13002 4/20 0.47
POLB P06746 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GRIK1 P39086 2/20 0.46
KDM4E B2RXH2 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
MAPT P10636 2/20 0.43
TLR7 Q9NYK1 1/20 0.43
NLRP3 Q96P20 1/20 0.42
TLR8 Q9NR97 1/20 0.42
CYP1A2 P05177 3/20 0.41
CYP1A1 P04798 2/20 0.41
CYP1B1 Q16678 2/20 0.41
PTGER4 P35408 3/20 0.41
CYP3A4 P08684 1/20 0.41
VDR P11473 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL11079618 0.86 GRIK2 (0.52) GRIK2POLBNPSR1GRIK1KDM4E
SCHEMBL11182201 0.84 PSEN1 (0.45) KDM4EKMT2AHPGDMAPTTLR7
SCHEMBL11073152 0.83 HSD17B10 (0.44) KDM4ETDP1KMT2AGAAHPGD
SCHEMBL11077028 0.83 NLRP3 (0.55) NPSR1KDM4EKMT2AHPGDMAPT
SCHEMBL11086321 0.79 GRIK2 (0.52) GRIK2POLBNPSR1GRIK1KDM4E
SCHEMBL11435483 0.76 PTGER4 (0.51) NPSR1KDM4ETDP1KMT2AHPGD
SCHEMBL11075906 0.76 NLRP3 (0.50) GRIK2POLBNPSR1GRIK1KDM4E
SCHEMBL4052208 0.75 GRIK2 (0.48) GRIK2GRIK1KDM4ETDP1KMT2A
SCHEMBL11079355 0.75 ALDH1A1 (0.55) NPSR1KDM4EGAAHPGDMAPT
SCHEMBL11078753 0.74 TLR8 (0.44) GRIK2NPSR1KDM4EKMT2AHPGD

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
US-4340607-A Antimicrobial 3H-naphtho[1,2-d]imidazoles GRUPPO LEPETIT S.P.A. (IT) 1982-07-20 US disclosed
EP-0012866-A1 New 3H-naphtho(1,2-d)imidazoles, processes for preparing them, compounds for use as antiinflammatory and antimicrobial agents and compositions for that use containing them GRUPPO LEPETIT S.P.A. (IT) 1980-07-09 EP disclosed