SCHEMBL5506948

SCHEMBL5506948

CNc1cc(N)cc(F)c1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.36
RAPGEF4 Q8WZA2 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
BRD4 O60885 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
SCHEMBL463544 0.82 RAPGEF4 (0.44) RAPGEF4TSHR
SCHEMBL5506973 0.82 RAPGEF4 (0.39) HTR6RAPGEF4TSHR
SCHEMBL13677416 0.82 HTR6 (0.42) HTR6RAPGEF4ALDH1A1TSHR
SCHEMBL12990555 0.82 HTR6 (0.47) HTR6RAPGEF4ALDH1A1TSHR
SCHEMBL16181574 0.73 RAPGEF4 (0.48) RAPGEF4
SCHEMBL12991010 0.73 ALDH1A1 (0.60) HTR6RAPGEF4ALDH1A1TSHR
SCHEMBL25353014 0.73 BRD4 (0.43) HTR6ALDH1A1TSHRBRD4
SCHEMBL31560951 0.73 BRD4 (0.43) HTR6ALDH1A1TSHRBRD4
SCHEMBL1100115 0.73
SCHEMBL69602 0.73

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-7208559-B2 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2007-04-24 US disclosed
US-20060135712-A1 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2006-06-22 US disclosed