SCHEMBL21173508

SCHEMBL21173508

Cc1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
LMNA P02545 2/20 0.33
TYR P14679 1/20 0.33
NISCH Q9Y2I1 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HTR1D P28221 1/20 0.32
POLB P06746 2/20 0.31
GAA P10253 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NR1I2 O75469 1/20 0.31
NPC1 O15118 1/20 0.31
XBP1 P17861 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL20671354 0.84 ACHE (0.40) TSHRLMNANISCHHDAC1HDAC6
SCHEMBL21173503 0.84 TSHR (0.40) TSHRLMNATYRGAAMEN1
SCHEMBL5055796 0.83 TSHR (0.43) TSHRLMNATYRKDM4EPOLB
SCHEMBL5058985 0.83 TSHR (0.43) TSHRLMNATYRKDM4EPOLB
SCHEMBL14948382 0.83 TSHR (0.50) TSHRLMNATYRPOLBMEN1
SCHEMBL20671348 0.81 ACHE (0.37) TSHRLMNANISCHKDM4EHDAC1
SCHEMBL14981538 0.81 ALDH1A1 (0.39) TSHRLMNANISCHHDAC1HDAC6
SCHEMBL20671347 0.81 ALDH1A1 (0.39) TSHRLMNANISCHHDAC1HDAC6
SCHEMBL22008508 0.81 GAA (0.33) TSHRLMNATYRHDAC1GAA
SCHEMBL20671336 0.79 ALDH1A1 (0.43) TSHRLMNANISCHKDM4EHDAC1

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
US-20190221375-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, AND OXIDE SEMICONDUCTOR ELECTRODE FUJIFILM CORPORATION (JP) 2019-07-18 US disclosed