SCHEMBL21173008

SCHEMBL21173008

CCCCN(CCCC#N)c1ccc([N+](=C2C=CC(=[N+](c3ccc(N(CCCC)CCCC#N)cc3)c3ccc(N(CCCC)CCCC#N)cc3)C=C2)c2ccc(N(CCCC)CCCC#N)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
SLC16A3 O15427 2/20 0.35
SLC16A1 P53985 2/20 0.35
CRHR1 P34998 2/20 0.34
CNR2 P34972 1/20 0.33
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
INSR P06213 1/20 0.30
GRIA2 P42262 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
SCHEMBL20207376 0.94 CRHR1 (0.39) MAPTTSHRSLC16A3SLC16A1CRHR1
SCHEMBL13900261 0.93 KCNN4 (0.32)
SCHEMBL7602543 0.88 MAPT (0.42) MAPTCNR2EGFRERBB2KDM4E
SCHEMBL19089889 0.85 MAPT (0.41) MAPTCNR2EGFRERBB2KDM4E
SCHEMBL12304321 0.85 MAPT (0.39) MAPTCNR2EGFRERBB2KDM4E
SCHEMBL12304368 0.84 MAPT (0.40) MAPTCNR2EGFRERBB2KDM4E
SCHEMBL12364583 0.84 MAPT (0.40) MAPTCNR2EGFRERBB2KDM4E
SCHEMBL12304312 0.84 MAPT (0.38) MAPTCNR2EGFRERBB2KDM4E
SCHEMBL12304313 0.84 MAPT (0.38) MAPTCNR2EGFRERBB2KDM4E
SCHEMBL12304320 0.84 HTT (0.35) TSHRALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3530478-B1 SHEET FOR THERMAL TRANSFER RECORDING CANON KK (JP) 2021-06-30 EP disclosed
EP-3530478-A1 SHEET FOR THERMAL TRANSFER RECORDING Canon Kabushiki Kaisha (JP) 2019-08-28 EP disclosed
US-20190217648-A1 THERMAL TRANSFER RECORDING SHEET CANON KABUSHIKI KAISHA (JP) 2019-07-18 US disclosed