SCHEMBL29047710

SCHEMBL29047710

Cn1nc(C(F)(F)F)cc1NC(=O)c1ccccc1Nc1ccc(F)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 7/20 0.46
LMNA P02545 2/20 0.43
MAPK14 Q16539 1/20 0.42
RXFP1 Q9HBX9 1/20 0.40
GRM4 Q14833 1/20 0.40
MAPK3 P27361 1/20 0.40
MAPK1 P28482 1/20 0.40
NR3C1 P04150 1/20 0.40
MRGPRX1 Q96LB2 1/20 0.39
PDE4B Q07343 1/20 0.39
FABP3 P05413 1/20 0.39
FABP4 P15090 1/20 0.39
MT-CO2 P00403 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL30546967 1.00 ALOX15 (0.46) ALOX15LMNAMAPK14RXFP1GRM4
SCHEMBL29047655 0.91 MAPK14 (0.48) LMNAMAPK14RXFP1NR3C1PDE4B
SCHEMBL30546971 0.91 MAPK14 (0.48) LMNAMAPK14RXFP1NR3C1PDE4B
SCHEMBL29047677 0.90 LMNA (0.47) LMNARXFP1MAPK3MAPK1MRGPRX1
SCHEMBL30546930 0.90 LMNA (0.47) LMNARXFP1MAPK3MAPK1MRGPRX1
SCHEMBL29047661 0.89 MAPK1 (0.42) LMNAMAPK14RXFP1MAPK3MAPK1
SCHEMBL30546942 0.89 MAPK1 (0.42) LMNAMAPK14RXFP1MAPK3MAPK1
SCHEMBL29047709 0.88 TAS2R14 (0.47) LMNAMAPK14RXFP1MAPK3MAPK1
SCHEMBL30546928 0.88 TAS2R14 (0.47) LMNAMAPK14RXFP1MAPK3MAPK1
SCHEMBL30546976 0.85 LMNA (0.49) LMNAMAPK14RXFP1

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