SCHEMBL17429472

SCHEMBL17429472

Cc1cc(C(C)(c2ccc(O)c(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(c5ccc(-c7ccc(N8C(=O)c9ccc(-c%10ccc%11c(c%10)C(=O)N(C)C%11=O)cc9C8=O)cc7C(F)(F)F)c(C)c5)C6=O)cc4C3=O)c2)C(F)(F)F)ccc1O

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
RAB9A P51151 1/20 0.34
TYMS P04818 1/20 0.34
CA9 Q16790 3/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 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
SCHEMBL822316 0.84 ESR1 (0.40) NPSR1MEN1KMT2AALDH1A1TSHR
SCHEMBL13967730 0.81 CA9 (0.38) NPSR1MEN1KMT2ANPC1ALDH1A1
SCHEMBL13966982 0.80 ESR1 (0.38) NPSR1MEN1KMT2AALDH1A1TSHR
SCHEMBL13966981 0.79 BRD4 (0.38) NPSR1MEN1KMT2AALDH1A1TSHR
SCHEMBL2600183 0.78 ALDH1A1 (0.41) NPSR1MEN1KMT2ANPC1ALDH1A1
SCHEMBL12792158 0.78 PKM (0.36) NPSR1MEN1KMT2AALDH1A1TSHR
SCHEMBL15460391 0.76 APP (0.39) TSHRTYMSCA9CA12CA1
SCHEMBL2622758 0.75 ESR1 (0.41) NPSR1MEN1KMT2AALDH1A1TSHR
SCHEMBL13400483 0.75 ALDH1A1 (0.44) NPSR1MEN1KMT2ANPC1ALDH1A1
SCHEMBL22560273 0.73 CA9 (0.44) NPSR1MEN1KMT2ANPC1ALDH1A1

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-20160009862-A1 TRANSPARENT POLYMER FILM AND ELECTRONIC DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-01-14 US disclosed