SCHEMBL20053089

SCHEMBL20053089

Cc1ccc(-c2ccc(N(C)c3ccc(C(C)(C)C)cc3)cc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.47
DGAT1 O75907 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
HPGDS O60760 1/20 0.36
TSHR P16473 1/20 0.35
EPHB4 P54760 1/20 0.35
TEK Q02763 1/20 0.35
HTR1D P28221 1/20 0.35
ADRA1A P35348 1/20 0.35
NISCH Q9Y2I1 1/20 0.35
XDH P47989 1/20 0.35
KDM4C Q9H3R0 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33

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
SCHEMBL17517230 0.89 KIF11 (0.49) KIF11DGAT1KDM4EALDH1A1KMT2A
SCHEMBL1622124 0.88 KIF11 (0.58) KIF11DGAT1KDM4EALDH1A1KMT2A
SCHEMBL24145271 0.82 KIF11 (0.52) KIF11KDM4EALDH1A1TSHRHTR1D
SCHEMBL17517229 0.80 KIF11 (0.41) KIF11DGAT1KDM4EALDH1A1KMT2A
SCHEMBL20053046 0.78 DYRK1A (0.47) KIF11
SCHEMBL17517232 0.77 KIF11 (0.38) KIF11KDM4EALDH1A1KMT2ACA12
SCHEMBL1134090 0.76 TSHR (0.50) KIF11ALDH1A1KMT2ATSHRKDM4C
SCHEMBL17053290 0.76 TSHR (0.40) KIF11DGAT1KDM4EALDH1A1KMT2A
SCHEMBL18627688 0.75 KIF11 (0.47) KIF11KMT2ATSHRRAB9A
SCHEMBL13367484 0.75 KIF11 (0.47) KIF11KMT2ATSHRRAB9A

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-9947482-B2 Photoelectric conversion element, dye-sensitized solar cell, and metal complex dye used in same FUJIFILM CORPORATION (JP) 2018-04-17 US disclosed