SCHEMBL21173573

SCHEMBL21173573

Cc1ccccc1N(c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
LMNA P02545 3/20 0.35
TYR P14679 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RAB9A P51151 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NR1H4 Q96RI1 2/20 0.35
HSD11B1 P28845 3/20 0.34
TP53 P04637 1/20 0.34
THRB P10828 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ACHE P22303 1/20 0.33
PTAFR P25105 1/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32

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
SCHEMBL13358327 0.86 NR1H2 (0.39) LMNAMEN1KMT2APTAFRMAPT
SCHEMBL13358009 0.86 RELA (0.40) LMNAMEN1KMT2ARAB9ANPSR1
SCHEMBL18993255 0.84 TSHR (0.41) TSHRLMNAMEN1KMT2ARAB9A
SCHEMBL17551533 0.84 APP (0.36) LMNAMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL4893894 0.83 ACHE (0.43) TSHRLMNANPSR1TP53ACHE
SCHEMBL13367486 0.83 TSHR (0.40) TSHRLMNATYRMEN1KMT2A
SCHEMBL13358367 0.83 RELA (0.40) LMNAMEN1KMT2ARAB9ANPSR1
SCHEMBL20143911 0.83 KIF11 (0.38) TSHRLMNAMEN1KMT2ATP53
SCHEMBL13358302 0.83 RELA (0.37) LMNAMEN1KMT2ARAB9ANPSR1
SCHEMBL13358103 0.83 RELA (0.37) LMNAMEN1KMT2ARAB9ANPSR1

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