SCHEMBL7678541

SCHEMBL7678541

Nc1ccc(-n2ccn(-c3ccc(OC(F)(F)C(F)F)cc3)c2=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
TRPV1 Q8NER1 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HTT P42858 1/20 0.33
CETP P11597 1/20 0.33
MAOB P27338 2/20 0.32
MMP13 P45452 1/20 0.32
MMP14 P50281 1/20 0.32
KCNH2 Q12809 1/20 0.32
PTGES2 Q9H7Z7 2/20 0.32
F9 P00740 1/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL1259216 0.86 L3MBTL1 (0.42) MAPTLMNAKDM4EMEN1KMT2A
SCHEMBL7676293 0.81 CETP (0.38) MAPTLMNAKDM4EMEN1KMT2A
SCHEMBL7687627 0.81 HTT (0.39) ALDH1A1TSHRMAPTKMT2AHTT
SCHEMBL2029020 0.80 ALDH1A1 (0.44) TRPV1ALDH1A1TSHRHSD17B10MAPT
Hydrochloric Acid SCHEMBL9586350 0.79 ALDH1A1 (0.43) TRPV1ALDH1A1TSHRHSD17B10MAPT
SCHEMBL8111166 0.73 TRPV1 (0.37) HCRTR1HCRTR2TRPV1ALDH1A1TSHR
SCHEMBL1728736 0.72 MAOA (0.60) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL1907911 0.71 ALDH1A1 (0.48) HCRTR1HCRTR2TRPV1ALDH1A1TSHR
SCHEMBL8718390 0.71 HTT (0.50) HCRTR1HCRTR2TRPV1ALDH1A1TSHR
SCHEMBL9860526 0.69 ALDH1A1 (0.39) TRPV1ALDH1A1TSHRHSD17B10MAPT

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-6362206-B1 FUNGICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-03-26 US disclosed
US-6034248-A FUNGICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-03-07 US disclosed