SCHEMBL29047690

SCHEMBL29047690

Cc1cccc(Nc2ccccc2C(=O)Nc2cc(C(F)(F)F)nn2C)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 9/20 0.53
SLC10A2 Q12908 1/20 0.45
SLC10A1 Q14973 1/20 0.45
SLC10A6 Q3KNW5 1/20 0.45
KCNK3 O14649 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
TAS2R14 Q9NYV8 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK14 Q16539 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 1/20 0.43
PTGS2 P35354 1/20 0.43

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
SCHEMBL30546965 1.00 RXFP1 (0.53) RXFP1SLC10A2SLC10A1SLC10A6KCNK3
SCHEMBL30546927 0.90 RXFP1 (0.57) RXFP1TAS2R14MEN1KMT2AALDH1A1
SCHEMBL29047658 0.90 RXFP1 (0.57) RXFP1TAS2R14MEN1KMT2AALDH1A1
SCHEMBL29047630 0.90 RXFP1 (0.68) RXFP1
SCHEMBL29047644 0.90 RXFP1 (0.53) RXFP1SLC10A2SLC10A1SLC10A6MEN1
SCHEMBL30546985 0.90 RXFP1 (0.53) RXFP1SLC10A2SLC10A1SLC10A6MEN1
SCHEMBL30546941 0.90 RXFP1 (0.68) RXFP1
SCHEMBL29047668 0.89 RXFP1 (0.48) RXFP1TAS2R14MEN1KMT2AALDH1A1
SCHEMBL30546933 0.89 RXFP1 (0.48) RXFP1TAS2R14MEN1KMT2AALDH1A1
SCHEMBL30546981 0.89 RXFP1 (0.52) RXFP1MEN1KMT2AALDH1A1MAPK14

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-116535357-A Arylamino benzamide derivative containing substituted pyrazole structure, preparation method and application 西北农林科技大学 2023-08-04 CN disclosed