SCHEMBL15445508

SCHEMBL15445508

Cc1ccc(-c2ccc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)C(C)C6=O)cc4C3=O)cc2C(F)(F)F)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 2/20 0.38
TSHR P16473 2/20 0.38
CASP1 P29466 2/20 0.38
RAB9A P51151 2/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PDE3B Q13370 4/20 0.38
PDE3A Q14432 4/20 0.38
CA9 Q16790 3/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MAPK1 P28482 1/20 0.36
CYP1A2 P05177 1/20 0.35
GRM1 Q13255 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL15445509 0.87 CA9 (0.35) ALDH1A1NPC1TSHRCASP1RAB9A
SCHEMBL2600183 0.87 ALDH1A1 (0.41) ALDH1A1NPC1TSHRCASP1RAB9A
SCHEMBL13400483 0.81 ALDH1A1 (0.44) ALDH1A1NPC1TSHRCASP1RAB9A
SCHEMBL15431056 0.78 ALDH1A1 (0.56) ALDH1A1NPC1TSHRCASP1RAB9A
SCHEMBL22560273 0.76 CA9 (0.44) ALDH1A1NPC1TSHRCASP1RAB9A
SCHEMBL13242158 0.76 MEN1 (0.53) ALDH1A1NPC1TSHRCASP1RAB9A
SCHEMBL19765587 0.76 MEN1 (0.60) ALDH1A1NPC1TSHRCASP1RAB9A
SCHEMBL9927356 0.75 ALDH1A1 (0.38) ALDH1A1NPC1TSHRCASP1RAB9A
SCHEMBL17721621 0.75 GRM2 (0.35) ALDH1A1NPC1TSHRCASP1RAB9A
SCHEMBL12325081 0.75 ALDH1A1 (0.49) ALDH1A1NPC1TSHRCASP1RAB9A

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-20140031499-A1 COMPOSITION INCLUDING POLYIMIDE BLOCK COPOLYMER AND INORGANIC PARTICLES, METHOD OF PREPARING SAME, ARTICLE INCLUDING SAME, AND DISPLAY DEVICE INCLUDING THE ARTICLE SAMSUNG ELECTRONICS CO., LTD. (KR) 2014-01-30 US disclosed