SCHEMBL9870707

SCHEMBL9870707

NSc1ccc(F)c(SC(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PDE2A O00408 1/20 0.36
LMNA P02545 2/20 0.34
HTT P42858 2/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
KCNH2 Q12809 1/20 0.33
PTPRZ1 P23471 2/20 0.32
PTPN1 P18031 1/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
KIF11 P52732 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
SCHEMBL9404050 0.85 PDE2A (0.45) KDM4EALDH1A1TDP1PDE2ALMNA
SCHEMBL31620868 0.76 POLB (0.42) KDM4EALDH1A1TDP1PDE2AHTR2A
SCHEMBL27177082 0.76 POLB (0.42) KDM4EALDH1A1TDP1PDE2AHTR2A
SCHEMBL9404028 0.76 KDM4E (0.48) KDM4EALDH1A1TDP1PDE2ALMNA
SCHEMBL900119 0.72 ALOX15 (0.38) KDM4EALDH1A1TDP1PDE2ALMNA
SCHEMBL900118 0.72 PDE2A (0.34) KDM4EALDH1A1TDP1PDE2AHTR2A
SCHEMBL18720477 0.68 PDE2A (0.44) KDM4EALDH1A1TDP1PDE2ALMNA
SCHEMBL901022 0.68 PTPRZ1 (0.35) PDE2APTPRZ1PTPN1HTR2AHTR2C
SCHEMBL20204902 0.67 CA3 (0.50) ALDH1A1MAPK1
SCHEMBL1958637 0.66 ALDH1A1 (0.39) KDM4EALDH1A1TDP1PDE2ALMNA

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-5015757-A Fungicides BAYER AKTIENGESELLSCHAFT (DE) 1991-05-14 US disclosed
US-4960789-A FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1990-10-02 US disclosed