SCHEMBL16707489

SCHEMBL16707489

Cc1c(SC(F)(F)F)ccc(SC(F)(F)F)c1C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PDE2A O00408 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.32
PTPN1 P18031 1/20 0.32
PTPRZ1 P23471 1/20 0.32
HTR2A P28223 3/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
FFAR4 Q5NUL3 2/20 0.31
HCAR1 Q9BXC0 1/20 0.30
PKM P14618 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL16707479 0.91 PDE2A (0.33) ALDH1A1KDM4ETDP1PDE2ASMN1; SMN2
SCHEMBL3626269 0.87 ALDH1A1 (0.39) ALDH1A1KDM4ETDP1PDE2ASMN1; SMN2
SCHEMBL9367675 0.87 TRPA1 (0.37) ALDH1A1KDM4ETDP1PDE2AFFAR4
SCHEMBL16707483 0.79 TRPA1 (0.43) ALDH1A1SMN1; SMN2FFAR4HCAR1PKM
SCHEMBL900553 0.77 ACHE (0.34) ALDH1A1KDM4ETDP1PDE2ASMN1; SMN2
SCHEMBL3626292 0.76 ALDH1A1 (0.40) ALDH1A1KDM4ESMN1; SMN2PKMHPGD
SCHEMBL18036833 0.75 PDE2A (0.30) PDE2A
SCHEMBL16555897 0.75 NOTUM (0.31) PDE2A
SCHEMBL16707473 0.75 SMN1; SMN2 (0.33) SMN1; SMN2HTR2AHTR2CHTR2B
SCHEMBL10987403 0.74 HAO1 (0.40) ALDH1A1TDP1PDE2ASMN1; SMN2HTR2A

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-9647218-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2017-05-09 US disclosed
US-20150129849-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2015-05-14 US disclosed