SCHEMBL21236751

SCHEMBL21236751

C1=CCCC(N(c2ccccc2)c2cccc3ccccc23)=C1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.38
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
TSHR P16473 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
SCHEMBL13821963 0.96 SIGMAR1 (0.35) SIGMAR1ALDH1A1TDP1L3MBTL1KDM4E
SCHEMBL16775507 0.95 SIGMAR1 (0.35) SIGMAR1
SCHEMBL10029773 0.94 SIGMAR1 (0.34) SIGMAR1
SCHEMBL18872362 0.94 SIGMAR1 (0.34) SIGMAR1
SCHEMBL13190815 0.90 SIGMAR1 (0.33) SIGMAR1
SCHEMBL18900780 0.89 SIGMAR1 (0.34) SIGMAR1ALDH1A1CYP1A2
SCHEMBL12700581 0.89 ALDH1A1 (0.36) SIGMAR1ALDH1A1TDP1L3MBTL1CYP3A4
SCHEMBL19506966 0.86 SIGMAR1 (0.32) SIGMAR1ALDH1A1KDM4ETSHR
SCHEMBL20749547 0.86 SIGMAR1 (0.32) SIGMAR1
SCHEMBL27345129 0.86 SIGMAR1 (0.30) SIGMAR1

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-3522191-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, AND OXIDE SEMICONDUCTOR ELECTRODE FUJIFILM Corporation (JP) 2019-08-07 EP disclosed