SCHEMBL16707488

SCHEMBL16707488

Cc1cc(C)c(C)c(SC(F)(F)F)c1C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
PGK1 P00558 1/20 0.30
PGK2 P07205 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL16707491 0.86 HTR2A (0.33) HTR2ASMN1; SMN2
SCHEMBL16707486 0.81 HTR2A (0.32) HTR2AKDM4EALDH1A1TDP1
SCHEMBL16707490 0.78 HTR2A (0.31) HTR2A
SCHEMBL16707480 0.78 KDM4E (0.33) HTR2ASMN1; SMN2KDM4EALDH1A1TDP1
SCHEMBL16707603 0.75 SMN1; SMN2 (0.42) SMN1; SMN2KDM4EALDH1A1TDP1
SCHEMBL16707513 0.75 HTR2A (0.39) HTR2ASMN1; SMN2PGK1PGK2KDM4E
SCHEMBL16707484 0.73 SMN1; SMN2 (0.41) HTR2ASMN1; SMN2KDM4EALDH1A1TDP1
SCHEMBL16707487 0.73 HTR2A (0.32) HTR2ASMN1; SMN2
SCHEMBL13725002 0.73 HTR2A (0.31) HTR2A
SCHEMBL16707473 0.71 SMN1; SMN2 (0.33) HTR2ASMN1; SMN2

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