SCHEMBL29047697

SCHEMBL29047697

Cc1cc(Cl)ccc1Nc1ccccc1C(=O)Nc1cc(C(F)(F)F)nn1C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.41
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
RXFP1 Q9HBX9 6/20 0.41
TAS2R14 Q9NYV8 1/20 0.41
CRACR2A Q9BSW2 2/20 0.41
MAPK14 Q16539 2/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
NPC1 O15118 1/20 0.40
NR3C1 P04150 1/20 0.40
KCNMA1 Q12791 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
SCHEMBL30546926 1.00 MAPT (0.44) MAPTTP53KDM4ELMNAALDH1A1
SCHEMBL29047640 0.93 TAS2R14 (0.47) MAPTTP53KDM4ELMNAALDH1A1
SCHEMBL30546938 0.93 TAS2R14 (0.47) MAPTTP53KDM4ELMNAALDH1A1
SCHEMBL29047646 0.90 RAB9A (0.47) MAPTKDM4ELMNARAB9ASMN1; SMN2
SCHEMBL30546924 0.90 RAB9A (0.47) MAPTKDM4ELMNARAB9ASMN1; SMN2
SCHEMBL29047661 0.89 MAPK1 (0.42) MAPTTP53KDM4ELMNAALDH1A1
SCHEMBL30546942 0.89 MAPK1 (0.42) MAPTTP53KDM4ELMNAALDH1A1
SCHEMBL29047662 0.87 MAPT (0.50) MAPTLMNAALDH1A1SMN1; SMN2RXFP1
SCHEMBL29047655 0.86 MAPK14 (0.48) MAPTKDM4ELMNAALDH1A1HPGD
SCHEMBL30546971 0.86 MAPK14 (0.48) MAPTKDM4ELMNAALDH1A1HPGD

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