SCHEMBL5506973

SCHEMBL5506973

CNc1cc(F)cc(NC)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 4/20 0.39
TSHR P16473 1/20 0.36
HTR6 P50406 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
APP P05067 3/20 0.32
KIF11 P52732 1/20 0.31
SOS1 Q07889 1/20 0.30
KCNH2 Q12809 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 0.94 RAPGEF4 (0.44) RAPGEF4TSHRCA12CA1CA9
SCHEMBL16181574 0.84 RAPGEF4 (0.48) RAPGEF4
SCHEMBL1783525 0.83 TSHR (0.47) TSHRHTR6CA12CA1APP
SCHEMBL19089348 0.82 HTR6 (0.39) RAPGEF4HTR6
SCHEMBL5514489 0.82 CA12 (0.55) RAPGEF4CA12CA1CA9APP
SCHEMBL24594971 0.82 RAPGEF4 (0.33) RAPGEF4
SCHEMBL29909475 0.82 HTR6 (0.39) RAPGEF4HTR6
SCHEMBL24807015 0.82 RAPGEF4 (0.33) RAPGEF4
SCHEMBL5506948 0.82 HTR6 (0.36) RAPGEF4TSHRHTR6
SCHEMBL1638576 0.82 RAPGEF4 (0.53) RAPGEF4

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