SCHEMBL29047658

SCHEMBL29047658

Cn1nc(C(F)(F)F)cc1NC(=O)c1ccccc1Nc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 8/20 0.57
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPK14 Q16539 1/20 0.45
CRACR2A Q9BSW2 1/20 0.43
NPY5R Q15761 1/20 0.43
TAS2R14 Q9NYV8 3/20 0.43
MAPT P10636 2/20 0.43
ALOX15 P16050 1/20 0.43
ROCK1 Q13464 1/20 0.42
THRB P10828 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL30546927 1.00 RXFP1 (0.57) RXFP1MEN1KMT2AMAPK14CRACR2A
SCHEMBL29047654 0.92 RXFP1 (0.54) RXFP1MEN1KMT2ATAS2R14SMN1; SMN2
SCHEMBL30546978 0.92 RXFP1 (0.48) RXFP1MEN1KMT2AMAPK14CRACR2A
SCHEMBL29047668 0.92 RXFP1 (0.48) RXFP1MEN1KMT2AMAPK14CRACR2A
SCHEMBL30546945 0.92 RXFP1 (0.54) RXFP1MEN1KMT2ATAS2R14SMN1; SMN2
SCHEMBL29047582 0.92 RXFP1 (0.48) RXFP1MEN1KMT2AMAPK14CRACR2A
SCHEMBL30546933 0.92 RXFP1 (0.48) RXFP1MEN1KMT2AMAPK14CRACR2A
SCHEMBL30546984 0.91 MAPT (0.50) RXFP1MEN1KMT2AMAPK14CRACR2A
SCHEMBL29047662 0.91 MAPT (0.50) RXFP1MEN1KMT2AMAPK14CRACR2A
SCHEMBL29047690 0.90 RXFP1 (0.53) RXFP1MEN1KMT2AMAPK14TAS2R14

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