SCHEMBL9039253

SCHEMBL9039253

CC(Cl)c1ncnc(NCCc2ccc(OCC(F)(F)F)cc2)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.40
HTT P42858 5/20 0.38
TP53 P04637 3/20 0.38
RAB9A P51151 1/20 0.37
TTBK1 Q5TCY1 1/20 0.37
TTBK2 Q6IQ55 1/20 0.37
LMNA P02545 4/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 4/20 0.36
POLB P06746 1/20 0.36
CACNA1G O43497 1/20 0.35
CACNA1H O95180 1/20 0.35
CNR2 P34972 1/20 0.35
KCNH2 Q12809 1/20 0.35
CACNA1I Q9P0X4 1/20 0.35

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
SCHEMBL9036510 0.92 GALR3 (0.40) GALR3HTTTP53RAB9ATTBK1
SCHEMBL9038247 0.90 HTT (0.39) GALR3HTTTP53RAB9ATTBK1
SCHEMBL15684873 0.87 PDE2A (0.41) GALR3HTTTP53RAB9ATTBK1
SCHEMBL9038905 0.85 TP53 (0.51) GALR3HTTTP53RAB9ALMNA
SCHEMBL9038563 0.85 HTT (0.40) GALR3HTTTP53RAB9ALMNA
SCHEMBL16997377 0.84 SMN1; SMN2 (0.49) GALR3HTTTP53RAB9ALMNA
SCHEMBL15684819 0.82 PLAAT3 (0.45) LMNAMAPT
SCHEMBL9037262 0.81 GALR3 (0.59) GALR3HTTTP53RAB9ATTBK1
SCHEMBL15684874 0.81 SMN1; SMN2 (0.52) HTTRAB9ALMNAMEN1KMT2A
SCHEMBL15684744 0.80 RAB9A (0.57) GALR3HTTTP53RAB9ATTBK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0665225-B1 4-Phenethylamino pyrimidine derivative, process for preparing the same and agricultural and horticultural chemical for controlling noxious organisms containing the same UBE INDUSTRIES (JP) 1996-11-27 EP disclosed
US-5498612-A INSECTICIDE, ACARICIDE, FUNGICIDE, NEMATOCIDE UBE INDUSTRIES, LTD. (JP) 1996-03-12 US disclosed
EP-0665225-A1 4-Phenethylamino pyrimidine derivative, process for preparing the same and agricultural and horticultural chemical for controlling noxious organisms containing the same UBE INDUSTRIES, LTD. (JP) 1995-08-02 EP disclosed