SCHEMBL9108521

SCHEMBL9108521

N=CCc1ccc(SC(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRZ1 P23471 4/20 0.57
PTPN1 P18031 2/20 0.57
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
EPHX2 P34913 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
ALKBH5 Q6P6C2 1/20 0.35
FTO Q9C0B1 1/20 0.35
KIF11 P52732 1/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
MBOAT4 Q96T53 1/20 0.33
PPARG P37231 1/20 0.33
TRPV1 Q8NER1 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
SCHEMBL5563665 0.83 PTPRZ1 (0.62) PTPRZ1PTPN1ALDH1A1KDM4ETDP1
SCHEMBL7053864 0.78 PTPRZ1 (0.61) PTPRZ1PTPN1ALDH1A1KDM4ETDP1
SCHEMBL18998006 0.78 PTPRZ1 (0.65) PTPRZ1PTPN1ALDH1A1KDM4ETDP1
SCHEMBL6001747 0.78 PTPRZ1 (0.65) PTPRZ1PTPN1ALDH1A1KDM4ETDP1
SCHEMBL5537909 0.75 PTPRZ1 (0.57) PTPRZ1PTPN1ALDH1A1KDM4ETDP1
SCHEMBL257111 0.74 PTPRZ1 (0.61) PTPRZ1PTPN1ALDH1A1KDM4ETDP1
SCHEMBL697792 0.74 PTPRZ1 (0.61) PTPRZ1PTPN1ALDH1A1KDM4ETDP1
SCHEMBL22105757 0.74 PTPRZ1 (0.61) PTPRZ1PTPN1ALDH1A1KDM4ETDP1
SCHEMBL5404852 0.74 PTPRZ1 (0.61) PTPRZ1PTPN1ALDH1A1KDM4ETDP1
SCHEMBL95318 0.74 PTPRZ1 (0.61) PTPRZ1PTPN1ALDH1A1KDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459569-A1 INSECTICIDAL 4-AMINO-THIENO[2,3-D]-PYRIMIDINE COMPOUNDS AND METHODS OF THEIR USE Merial Limited (US) 2012-06-06 EP disclosed