SCHEMBL29047655

SCHEMBL29047655

Cn1nc(C(F)(F)F)cc1NC(=O)c1ccccc1Nc1ccccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.48
LMNA P02545 1/20 0.47
RXFP1 Q9HBX9 4/20 0.44
STIM1 Q13586 1/20 0.43
ORAI1 Q96D31 1/20 0.43
CYP1A2 P05177 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
TOP1 P11387 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PDE4B Q07343 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NR3C1 P04150 1/20 0.42
PTGES O14684 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
MT-CO2 P00403 2/20 0.41
PTGS2 P35354 1/20 0.41

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
SCHEMBL30546971 1.00 MAPK14 (0.48) MAPK14LMNARXFP1STIM1ORAI1
SCHEMBL29047665 0.92 LMNA (0.57) MAPK14LMNACYP1A2HPGDCYP2C19
SCHEMBL30546983 0.92 LMNA (0.57) MAPK14LMNACYP1A2HPGDCYP2C19
SCHEMBL29047672 0.91 MAPK14 (0.49) MAPK14LMNARXFP1STIM1ORAI1
SCHEMBL30546973 0.91 MAPK14 (0.49) MAPK14LMNARXFP1STIM1ORAI1
SCHEMBL29047710 0.91 ALOX15 (0.46) MAPK14LMNARXFP1PDE4BKDM4E
SCHEMBL30546967 0.91 ALOX15 (0.46) MAPK14LMNARXFP1PDE4BKDM4E
SCHEMBL28398111 0.88 STIM1 (0.53) MAPK14LMNARXFP1STIM1ORAI1
SCHEMBL29047585 0.88 FTO (0.44) MAPK14LMNARXFP1STIM1ORAI1
SCHEMBL29047686 0.88 LMNA (0.49) MAPK14LMNARXFP1MAPT

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