SCHEMBL29047734

SCHEMBL29047734

Cc1cccc(C)c1Nc1ccccc1C(=O)Nc1cc(C(F)(F)F)nn1C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 5/20 0.46
CRACR2A Q9BSW2 3/20 0.46
MAPT P10636 1/20 0.43
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
LMNA P02545 2/20 0.42
TAS2R14 Q9NYV8 2/20 0.41
P2RX1 P51575 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPK14 Q16539 1/20 0.40
TOP1 P11387 1/20 0.40
PTGS2 P35354 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL30546957 1.00 RXFP1 (0.46) RXFP1CRACR2AMAPTTP53GAA
SCHEMBL29047705 0.89 LMNA (0.45) RXFP1CRACR2AMAPTLMNATAS2R14
SCHEMBL30546975 0.89 LMNA (0.45) RXFP1CRACR2AMAPTLMNATAS2R14
SCHEMBL29047672 0.88 MAPK14 (0.49) RXFP1MAPTLMNAMAPK14
SCHEMBL30546973 0.88 MAPK14 (0.49) RXFP1MAPTLMNAMAPK14
SCHEMBL30546950 0.88 CLCN2 (0.51) RXFP1CRACR2ALMNATAS2R14MAPK14
SCHEMBL29047622 0.88 CLCN2 (0.51) RXFP1CRACR2ALMNATAS2R14MAPK14
SCHEMBL28402002 0.86 MAPT (0.55) RXFP1CRACR2AMAPTTP53KMT2A
SCHEMBL30546954 0.86 LMNA (0.44) RXFP1CRACR2AMAPTGAALMNA
SCHEMBL29047703 0.86 LMNA (0.44) RXFP1CRACR2AMAPTGAALMNA

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