SCHEMBL6009679

SCHEMBL6009679

Cc1cccc2[nH]c3cccc(O)c3c12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.57
IMPDH1 P20839 1/20 0.57
TRPA1 O75762 2/20 0.46
ATM Q13315 1/20 0.46
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
DAO P14920 2/20 0.44
DDO Q99489 1/20 0.44
MGAM O43451 4/20 0.44
GAA P10253 4/20 0.44
SI P14410 4/20 0.44
MGAM2 Q2M2H8 4/20 0.44
MAPK1 P28482 1/20 0.41
MAP2K4 P45985 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
MAPK6 Q16659 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 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
SCHEMBL3886120 0.87 IMPDH2 (0.71) IMPDH2IMPDH1HTR2AHTR2CGAA
SCHEMBL6008331 0.87 GPR84 (0.48) IMPDH2IMPDH1DAODDOMAPK1
SCHEMBL30715250 0.87 GPR84 (0.48) IMPDH2IMPDH1DAODDOMAPK1
SCHEMBL6008281 0.77 CHEK1 (0.46) MGAMGAASIMGAM2GABRP
SCHEMBL933915 0.75 HTR2A (0.54) IMPDH2IMPDH1TRPA1ATMHTR2A
SCHEMBL6008267 0.75 ALDH1A1 (0.44) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL6008305 0.75 GABRP (0.41) IMPDH2IMPDH1DAODDOMAPK1
SCHEMBL3879220 0.75 IMPDH2 (0.57) IMPDH2IMPDH1HTR2AHTR2CGAA
SCHEMBL12668292 0.75 ERN1 (0.57) IMPDH2IMPDH1HTR2AHTR2CDAO
SCHEMBL1402326 0.73 TRPA1 (0.54) TRPA1ATMHTR2ADAODDO

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
US-20060183022-A1 Electrochemical cell NEC TOKIN CORORATION (JP) 2006-08-17 US disclosed