SCHEMBL28173201

SCHEMBL28173201

Cc1nccc(C(F)(F)C(F)(F)F)n1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 2/20 0.36
AAK1 Q2M2I8 2/20 0.35
GRM4 Q14833 1/20 0.34
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
SCN9A Q15858 1/20 0.31
ADRB1 P08588 1/20 0.31
ALDH1A1 P00352 1/20 0.30
POLB P06746 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
SCHEMBL171691 0.83 ADRB1 (0.43) SORT1GRM4KDM4EADRB1
SCHEMBL20909663 0.81 GRM4 (0.35) SORT1AAK1GRM4KDM4ELMNA
SCHEMBL10193126 0.81 GRM4 (0.35) SORT1AAK1GRM4KDM4ELMNA
SCHEMBL22795813 0.76 AAK1 (0.33) SORT1AAK1GRM4KDM4ELMNA
SCHEMBL803084 0.76 SYK (0.39) AAK1GRM4KDM4ELMNAALDH1A1
SCHEMBL8751966 0.75 TRPV4 (0.33) ADRB1
SCHEMBL2014949 0.75 GABRA1 (0.38) ADRB1
SCHEMBL18581 0.75 LMNA (0.38) KDM4ELMNAALDH1A1POLB
SCHEMBL25469619 0.74 GRM4 (0.36) GRM4KDM4ELMNAALDH1A1POLB
SCHEMBL28203328 0.72 HCRTR1 (0.35) AAK1GRM4KDM4ELMNA

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
CN-107207506-A Condensed heterocyclic compouds and noxious organism control agent 日产化学工业株式会社 2017-09-26 CN disclosed