SCHEMBL29047640

SCHEMBL29047640

Cc1ccc(Cl)cc1Nc1ccccc1C(=O)Nc1cc(C(F)(F)F)nn1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 1/20 0.47
MAPT P10636 3/20 0.44
GBA1 P04062 1/20 0.44
POLB P06746 3/20 0.43
KDM4E B2RXH2 3/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 1/20 0.43
NPY1R P25929 1/20 0.43
HTT P42858 1/20 0.43
NPY2R P49146 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KCNMA1 Q12791 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TP53 P04637 1/20 0.42
CRACR2A Q9BSW2 1/20 0.41
MAPK14 Q16539 2/20 0.41
MAPK13 O15264 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
SCHEMBL30546938 1.00 TAS2R14 (0.47) TAS2R14MAPTGBA1POLBKDM4E
SCHEMBL29047697 0.93 MAPT (0.44) TAS2R14MAPTKDM4ERAB9ALMNA
SCHEMBL30546926 0.93 MAPT (0.44) TAS2R14MAPTKDM4ERAB9ALMNA
SCHEMBL29047646 0.89 RAB9A (0.47) MAPTKDM4ERAB9ALMNANPC1
SCHEMBL30546924 0.89 RAB9A (0.47) MAPTKDM4ERAB9ALMNANPC1
SCHEMBL30546928 0.89 TAS2R14 (0.47) TAS2R14MAPTPOLBKDM4ERAB9A
SCHEMBL29047709 0.89 TAS2R14 (0.47) TAS2R14MAPTPOLBKDM4ERAB9A
SCHEMBL30546984 0.88 MAPT (0.50) MAPTPOLBLMNAALDH1A1NPSR1
SCHEMBL29047662 0.88 MAPT (0.50) MAPTPOLBLMNAALDH1A1NPSR1
SCHEMBL29047655 0.87 MAPK14 (0.48) MAPTKDM4ELMNAALDH1A1NPSR1

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