SCHEMBL29047686

SCHEMBL29047686

Cn1nc(C(F)(F)F)cc1NC(=O)c1ccccc1Nc1ccccc1F

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
RXFP1 Q9HBX9 3/20 0.43
CRACR2A Q9BSW2 4/20 0.43
KLKB1 P03952 1/20 0.42
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
FLT3 P36888 1/20 0.41
KMT2A Q03164 1/20 0.41
RECQL P46063 1/20 0.41
TAS2R14 Q9NYV8 1/20 0.40
GRM5 P41594 1/20 0.40
DHODH Q02127 1/20 0.40
ROCK1 Q13464 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
SCHEMBL30546976 1.00 LMNA (0.49) LMNAMAPTRAB9ARXFP1CRACR2A
SCHEMBL29047696 0.91 LMNA (0.46) LMNAMAPTRAB9ARXFP1CRACR2A
SCHEMBL30546943 0.91 LMNA (0.46) LMNAMAPTRAB9ARXFP1CRACR2A
SCHEMBL30546930 0.91 LMNA (0.47) LMNAMAPTRXFP1CRACR2A
SCHEMBL29047677 0.91 LMNA (0.47) LMNAMAPTRXFP1CRACR2A
SCHEMBL29047705 0.91 LMNA (0.45) LMNAMAPTRAB9ARXFP1CRACR2A
SCHEMBL30546975 0.91 LMNA (0.45) LMNAMAPTRAB9ARXFP1CRACR2A
SCHEMBL29047646 0.90 RAB9A (0.47) LMNAMAPTRAB9ACRACR2AMAPK13
SCHEMBL30546929 0.89 RECQL (0.48) LMNAMAPTRXFP1RECQLTAS2R14
SCHEMBL28397911 0.88 KMT2A (0.52) LMNACRACR2AKMT2ARECQLGRM5

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