SCHEMBL29265447

SCHEMBL29265447

CCOC(=O)CN(C(=O)c1cccnc1)c1cccc(C(=O)Nc2c(Br)cc(C(F)(C(F)(F)F)C(F)(F)F)cc2OC(F)F)c1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 3/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
TP53 P04637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GPBAR1 Q8TDU6 6/20 0.32
ALDH1A1 P00352 2/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
SCN5A Q14524 1/20 0.31
SCN9A Q15858 1/20 0.31
TRPV4 Q9HBA0 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31

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
SCHEMBL29265441 0.90 KDM4E (0.32) SMN1; SMN2MAPTKMT2ALMNAMEN1
SCHEMBL18355979 0.89 KMT2A (0.35) MAPK1SMN1; SMN2MAPTKMT2ALMNA
SCHEMBL29265442 0.89 MAPK1 (0.36) MAPK1SMN1; SMN2MAPTKMT2ATP53
SCHEMBL16863522 0.84 MLYCD (0.36) RXFP1
SCHEMBL18355980 0.83 POLB (0.35) MAPK1SMN1; SMN2MAPTKMT2ALMNA
SCHEMBL29265438 0.83 JAK2 (0.31) JAK2JAK1
SCHEMBL18354046 0.83 TSHR (0.35) KMT2AALDH1A1MEN1
SCHEMBL17482099 0.83 HTT (0.41) MAPK1SMN1; SMN2MAPTKMT2ALMNA
SCHEMBL18354409 0.82 DHODH (0.33) SMN1; SMN2MAPTKMT2ALMNAALDH1A1
SCHEMBL18355932 0.82 MLYCD (0.35)

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-118026883-A Amide compound and preparation method and application thereof 南通泰禾化工股份有限公司 2024-05-14 CN disclosed