SCHEMBL21392008

SCHEMBL21392008

CCc1cccc(N(c2ccc(C)cc2)c2cccc(CC)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.44
SIGMAR1 Q99720 14/20 0.43
RAPGEF4 Q8WZA2 1/20 0.41
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL13136832 1.00 CYP2C19 (0.44) CYP2C19SIGMAR1RAPGEF4TP53MAPT
SCHEMBL12798297 0.96 CYP2C19 (0.50) CYP2C19SIGMAR1RAPGEF4TP53MAPT
SCHEMBL22244129 0.95 BCL2 (0.41) CYP2C19SIGMAR1RAPGEF4
SCHEMBL13136831 0.91 SIGMAR1 (0.42) SIGMAR1RAPGEF4
SCHEMBL20030125 0.89 SIGMAR1 (0.43) SIGMAR1RAPGEF4
SCHEMBL76603 0.88 TP53 (0.52) CYP2C19SIGMAR1TP53MAPT
SCHEMBL13136839 0.88 TP53 (0.52) CYP2C19SIGMAR1TP53MAPT
SCHEMBL8765716 0.88 SIGMAR1 (0.47) SIGMAR1TP53
SCHEMBL25770671 0.87 SIGMAR1 (0.46) CYP2C19SIGMAR1RAPGEF4TP53MAPT
SCHEMBL13479421 0.87 SIGMAR1 (0.42) SIGMAR1RAPGEF4

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-11094474-B2 Photoelectric conversion element, dye-sensitized solar cell, metal complex dye, dye composition, and oxide semiconductor electrode FUJIFILM CORPORATION (JP) 2021-08-17 US disclosed
US-20190295779-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE COMPOSITION, AND OXIDE SEMICONDUCTOR ELECTRODE FUJIFILM CORPORATION (JP) 2019-09-26 US disclosed