SCHEMBL8612869

SCHEMBL8612869

FC(F)(F)c1nn(-c2ccccc2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 10/20 0.45
MPO P05164 1/20 0.38
PTGS2 P35354 1/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ESR2 Q92731 1/20 0.36
PTGS1 P23219 1/20 0.36
BRAF P15056 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 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
SCHEMBL10699375 0.80 DGAT1 (0.41) DGAT1MPOPTGS2TSHRKDM4E
SCHEMBL23565169 0.79 DGAT1 (0.41) DGAT1MPOALDH1A1MAPTHPGD
SCHEMBL8683781 0.79 ALDH1A1 (0.46) DGAT1MPOPTGS2KDM4EUSP2
SCHEMBL25384661 0.79 DGAT1 (0.40) DGAT1MPOPTGS2TSHRKDM4E
SCHEMBL23565170 0.79 KDM4E (0.44) DGAT1MPOKDM4EUSP2ALDH1A1
SCHEMBL4298033 0.76 DGAT1 (0.57) DGAT1KDM4EALDH1A1MAPTHPGD
SCHEMBL14304515 0.75 PTGS2 (0.58) DGAT1PTGS2KDM4EALDH1A1MAPT
SCHEMBL408273 0.75 DGAT1 (0.54) DGAT1KDM4EUSP2ALDH1A1MAPT
SCHEMBL12763749 0.75 DGAT1 (0.43) DGAT1MPOTSHRKDM4EUSP2
SCHEMBL27722113 0.75 MPO (0.46) DGAT1MPOKDM4EUSP2ALDH1A1

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
US-5750550-A RESPIRATORY SYSTEM DISORDERS SANOFI (FR) 1998-05-12 US disclosed