SCHEMBL29047633

SCHEMBL29047633

Cn1nc(C(F)(F)F)cc1NC(=O)c1ccccc1Nc1ccccc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.48
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NR3C1 P04150 1/20 0.46
TP53 P04637 1/20 0.45
TAS2R14 Q9NYV8 2/20 0.44
RXFP1 Q9HBX9 4/20 0.43
EPHB3 P54753 1/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 2/20 0.41
ALOX12 P18054 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
FABP4 P15090 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 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
SCHEMBL30546929 1.00 RECQL (0.48) RECQLAKR1C3AKR1C2SMN1; SMN2NR3C1
SCHEMBL29047686 0.89 LMNA (0.49) RECQLTAS2R14RXFP1LMNAMAPT
SCHEMBL30546976 0.89 LMNA (0.49) RECQLTAS2R14RXFP1LMNAMAPT
SCHEMBL28397884 0.88 RECQL (0.60) RECQLTP53RXFP1ALDH1A1LMNA
SCHEMBL30546971 0.88 MAPK14 (0.48) NR3C1RXFP1ALDH1A1LMNAMAPT
SCHEMBL29047655 0.88 MAPK14 (0.48) NR3C1RXFP1ALDH1A1LMNAMAPT
SCHEMBL29047658 0.87 RXFP1 (0.57) SMN1; SMN2TAS2R14RXFP1ALDH1A1MAPT
SCHEMBL30546927 0.87 RXFP1 (0.57) SMN1; SMN2TAS2R14RXFP1ALDH1A1MAPT
SCHEMBL30546950 0.86 CLCN2 (0.51) RECQLTAS2R14RXFP1HTTALDH1A1
SCHEMBL29047622 0.86 CLCN2 (0.51) RECQLTAS2R14RXFP1HTTALDH1A1

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