SCHEMBL13045682

SCHEMBL13045682

N#Cc1cc(Cl)nc(I)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.41
TTR P02766 2/20 0.40
ALB P02768 2/20 0.40
VCAM1 P19320 3/20 0.38
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GPR35 Q9HC97 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
SCHEMBL901915 0.84 GRM5 (0.46) GRM5TTRALBVCAM1CA1
SCHEMBL21927207 0.76 TTR (0.41) GRM5TTRALBVCAM1MEN1
SCHEMBL583616 0.74 GRM5 (0.48) GRM5VCAM1MEN1KMT2A
SCHEMBL11620108 0.74 GRM5 (0.41) GRM5VCAM1
SCHEMBL10379441 0.71 ALDH1A1 (0.41) GRM5VCAM1MEN1KMT2AGPR35
SCHEMBL11296944 0.69 GRM5 (0.51) GRM5VCAM1
SCHEMBL30563178 0.69 GRM5 (0.38) GRM5VCAM1
SCHEMBL6177216 0.69 GRM5 (0.38) GRM5TTRALBVCAM1MEN1
SCHEMBL30745049 0.69 MEN1 (0.41) GRM5TTRALBVCAM1MEN1
SCHEMBL30824106 0.69 GRM5 (0.38) GRM5TTRALBVCAM1MEN1

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
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO disclosed