SCHEMBL16574341

SCHEMBL16574341

O=Cc1ccc(-c2ccc(-c3sc(I)cc3Br)s2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.45
MAPT P10636 3/20 0.40
APP P05067 1/20 0.39
CYP2A6 P11509 2/20 0.36
CYP2E1 P05181 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP2C19 P33261 1/20 0.36
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
PRF1 P14222 1/20 0.33
KDM4E B2RXH2 3/20 0.32
HPGD P15428 2/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL12180779 0.76 DPP4 (0.56) DPP4MAPTAPPCYP2A6CYP2E1
SCHEMBL2591087 0.76 DPP4 (0.56) DPP4MAPTAPPCYP2A6CYP2E1
SCHEMBL607254 0.75 DPP4 (0.69) DPP4MAPTAPPCYP2A6CYP2E1
SCHEMBL16574353 0.74 DPP4 (0.56) DPP4MAPTAPPCYP2A6CYP2E1
SCHEMBL2592381 0.74 DPP4 (0.53) DPP4MAPTAPPCYP2A6CYP2E1
SCHEMBL278904 0.73 DPP4 (0.65) DPP4MAPTAPPCYP2A6CYP2E1
SCHEMBL50461 0.72 DPP4 (0.56) DPP4MAPTAPPCYP2A6CYP2E1
SCHEMBL25165306 0.70 DPP4 (0.53) DPP4MAPTAPPCYP2A6CYP2E1
SCHEMBL50198 0.70 DPP4 (0.53) DPP4MAPTAPPCYP2A6CYP2E1
SCHEMBL31252826 0.70 DPP4 (0.62) DPP4MAPTKDM4EHPGDPOLB

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-20150076420-A1 Dye-Sensitized Photoelectric Conversion Element NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2015-03-19 US disclosed
US-20150076420-A1 Dye-Sensitized Photoelectric Conversion Element NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2015-03-19 US disclosed