SCHEMBL29047629

SCHEMBL29047629

Cn1nc(C(F)(F)F)cc1NC(=O)c1ccccc1Nc1cc(F)c(F)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 5/20 0.46
CRACR2A Q9BSW2 5/20 0.44
FLT3 P36888 1/20 0.43
KCNJ6 P48051 1/20 0.42
KCNJ5 P48544 1/20 0.42
KCNJ3 P48549 1/20 0.42
LMNA P02545 1/20 0.42
TAS2R14 Q9NYV8 1/20 0.40
ROCK1 Q13464 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RECQL P46063 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL30546949 1.00 RXFP1 (0.46) RXFP1CRACR2AFLT3KCNJ6KCNJ5
SCHEMBL29047675 0.91 KCNJ6 (0.51) RXFP1CRACR2AFLT3KCNJ6KCNJ5
SCHEMBL30546968 0.91 KCNJ6 (0.51) RXFP1CRACR2AFLT3KCNJ6KCNJ5
SCHEMBL29047707 0.90 RXFP1 (0.46) RXFP1CRACR2AFLT3LMNATAS2R14
SCHEMBL30546936 0.90 RXFP1 (0.46) RXFP1CRACR2AFLT3LMNATAS2R14
SCHEMBL29047658 0.89 RXFP1 (0.57) RXFP1CRACR2ATAS2R14ROCK1ALDH1A1
SCHEMBL30546927 0.89 RXFP1 (0.57) RXFP1CRACR2ATAS2R14ROCK1ALDH1A1
SCHEMBL30546978 0.88 RXFP1 (0.48) RXFP1CRACR2AFLT3ROCK1ALDH1A1
SCHEMBL29047686 0.88 LMNA (0.49) RXFP1CRACR2AFLT3LMNATAS2R14
SCHEMBL30546976 0.88 LMNA (0.49) RXFP1CRACR2AFLT3LMNATAS2R14

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