SCHEMBL15745683

SCHEMBL15745683

Cc1cc(Cc2cc(C)c(N3C(=O)c4ccc(C(=O)c5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)c(C(C)(O)C(F)(F)F)c2)cc(C(C)(O)C(F)(F)F)c1C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.35
TSHR P16473 2/20 0.34
ENPP2 Q13822 1/20 0.33
APEX1 P27695 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ANPEP P15144 1/20 0.33
DPP4 P27487 1/20 0.33
ATM Q13315 1/20 0.32
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
KMT2A Q03164 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
SCHEMBL15745681 0.90 ANPEP (0.34) ALDH1A1ANPEPDPP4KDM4EKMT2A
SCHEMBL15745682 0.87 ALDH1A1 (0.34) ALDH1A1NPSR1ANPEPDPP4KDM4E
SCHEMBL15745680 0.87 ANPEP (0.33) ANPEPDPP4
SCHEMBL15745679 0.86 ALDH1A1 (0.41) ALDH1A1ANPEPDPP4KDM4E
SCHEMBL14678932 0.83 ALDH1A1 (0.46) ALDH1A1TSHRENPP2APEX1NPSR1
SCHEMBL13105167 0.76 ALDH1A1 (0.40) ALDH1A1TSHRENPP2APEX1NPSR1
SCHEMBL15826863 0.74 APEX1 (0.44) ALDH1A1TSHRENPP2APEX1NPSR1
SCHEMBL15745690 0.74 APEX1 (0.40) ALDH1A1TSHRENPP2APEX1NPSR1
SCHEMBL13125182 0.73 ANPEP (0.43) ALDH1A1TSHRENPP2APEX1NPSR1
SCHEMBL13925060 0.72 ALDH1A1 (0.38) ALDH1A1TSHRENPP2APEX1NPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9793483-B2 Hexafluoroisopropanol group-containing diamine, polyimide and polyamide using same, cyclized product thereof, and method for producing same CENTRAL GLASS COMPANY, LIMITED (JP) 2017-10-17 US disclosed
US-20140148571-A1 Hexafluoroisopropanol Group-Containing Diamine, Polyimide And Polyamide Using Same, Cyclized Product Thereof, And Method For Producing Same CENTRAL GLASS COMPANY, LIMITED (JP) 2014-05-29 US disclosed