SCHEMBL16405017

SCHEMBL16405017

Fc1ccc(-c2cc(Br)cc(-c3cc(C(F)(F)F)n[nH]3)n2)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCC8 Q09428 1/20 0.37
KCNJ11 Q14654 1/20 0.37
ALPL P05186 3/20 0.36
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C8 P10632 1/20 0.34
TGFBR1 P36897 1/20 0.34
KMO O15229 2/20 0.33
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31
TRPA1 O75762 1/20 0.31
MPL P40238 1/20 0.31
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL16404995 0.88 ALPL (0.38) ABCC8KCNJ11ALPLCYP1A2CYP3A4
SCHEMBL867635 0.85 ABCC8 (0.38) ABCC8KCNJ11ALPLCYP1A2CYP3A4
SCHEMBL6911265 0.81 ABCC8 (0.45) ABCC8KCNJ11ALPLTRPA1MEN1
SCHEMBL18290495 0.81 ALPL (0.34) ABCC8KCNJ11ALPLCYP1A2CYP3A4
SCHEMBL12322371 0.76 ALPL (0.36) ABCC8KCNJ11ALPLKMOMEN1
SCHEMBL19879314 0.76 ABCC8 (0.35) ABCC8KCNJ11CYP1A2CYP3A4TRPA1
SCHEMBL23412513 0.75 PDE10A (0.40) ABCC8KCNJ11ALPLCYP1A2KMO
SCHEMBL6909425 0.72 ABCC8 (0.36) ABCC8KCNJ11CYP1A2CYP3A4TRPA1
SCHEMBL20411750 0.71 ALPL (0.41) ALPLCYP1A2CYP3A4CYP2C8TGFBR1
SCHEMBL20414938 0.71 ABCC8 (0.38) ABCC8KCNJ11ALPLADORA2AADORA2B

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-2826821-A1 METAL COMPLEX DYE, PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, DYE ADSORPTION LIQUID COMPOSITION FOR DYE-SENSITIZED SOLAR CELL, SEMICONDUCTOR ELECTRODE FOR DYE-SENSITIZED SOLAR CELL, AND METHOD FOR PRODUCING DYE-SENSITIZED SOLAR CELL Fujifilm Corporation (JP) 2015-01-21 EP disclosed