SCHEMBL9640565

SCHEMBL9640565

O=Nc1ccc(-c2ccc(N=O)cc2C(F)(F)F)c(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
GLA P06280 1/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
CYP17A1 P05093 2/20 0.34
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 3/20 0.32
HSD17B10 Q99714 3/20 0.32
TP53 P04637 2/20 0.32
MAPK1 P28482 2/20 0.32
HIF1A Q16665 2/20 0.32
MEN1 O00255 1/20 0.32
GMNN O75496 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL14256874 0.81 AR (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL12367734 0.79 NOTUM (0.40) TSHRHTR3EHTR3BHTR3AHTR3D
SCHEMBL14256899 0.79 HTR3E (0.61) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL28241543 0.79 GLA (0.32) TSHRGLAPOLBGAAKMT2A
SCHEMBL7177146 0.78 MAPK1 (0.46) TSHRGLAPOLBGAAHTR3E
SCHEMBL28155357 0.76 SIRT2 (0.39) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL28210229 0.76 CES2 (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8248239 0.75 HTR3E (0.43) TSHRHTR3EHTR3BHTR3AHTR3D
SCHEMBL10208080 0.75 HSD17B1 (0.36) GAAHTR3EHTR3BHTR3AHTR3D
SCHEMBL19073460 0.75 IDO1 (0.34) HTR3EHTR3BHTR3AHTR3DHTR3C

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
EP-0499603-A1 PHENYLATED POLYIMIDES PREPARED FROM 3,6-DIARYLPYROMELLITIC DIANHYDRIDE AND AROMATIC DIAMINES THE UNIVERSITY OF AKRON (US) 1992-08-26 EP claimed
WO-1990010025-A1 PHENYLATED POLYIMIDES PREPARED FROM 3,6-DIARYLPYROMELLITIC DIANHYDRIDE AND AROMATIC DIAMINES THE UNIVERSITY OF AKRON (US) 1990-09-07 WO claimed