SCHEMBL21096502

SCHEMBL21096502

C=C1C=CC=Cc2ccc3cccnc3c21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.48
▸ LMNA P02545 3/20 0.48
▸ CCR1 P32246 3/20 0.48
▸ CCR5 P51681 3/20 0.48
▸ CCR8 P51685 3/20 0.48
▸ MMP2 P08253 2/20 0.48
▸ TSHR P16473 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ GMNN O75496 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ HSP90AA1 P07900 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ MMP9 P14780 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ MMP8 P22894 1/20 0.48
▸ THPO P40225 1/20 0.48
▸ MTOR P42345 1/20 0.48
▸ HTT P42858 1/20 0.48

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
SCHEMBL3201545 0.74 LMNA (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL7559601 0.70 CES1 (0.56) KDM4ELMNACCR1CCR5CCR8
Phenanthroline SCHEMBL29354015 0.69 CCR1 (1.00) KDM4ELMNACCR1CCR5CCR8
Phenanthroline SCHEMBL29367277 0.69 CCR1 (1.00) KDM4ELMNACCR1CCR5CCR8
Phenanthroline SCHEMBL8312 0.69 CCR1 (1.00) KDM4ELMNACCR1CCR5CCR8
Phenanthroline SCHEMBL8845760 0.69 CCR1 (1.00) KDM4ELMNACCR1CCR5CCR8
Phenanthroline SCHEMBL28719970 0.67 CCR1 (0.84) KDM4ELMNACCR1CCR5CCR8
Phenanthroline SCHEMBL22982126 0.66 CCR1 (0.94) KDM4ELMNACCR1CCR5CCR8
Phenanthroline SCHEMBL21300488 0.66 CCR1 (0.94) KDM4ELMNACCR1CCR5CCR8
Phenanthroline SCHEMBL22462277 0.66 CCR1 (0.94) KDM4ELMNACCR1CCR5CCR8

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-2793311-B1 METAL COMPLEX DYE, PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, DYE SOLUTION, AND COMPOUND FUJIFILM CORP (JP) 2019-06-19 — — EP disclosed
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