SCHEMBL28971302

SCHEMBL28971302

Cc1ccc(C(=O)Oc2ccc(C3=NOC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 7/20 0.36
MEN1 O00255 2/20 0.36
NPC1 O15118 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
PRSS1 P07477 2/20 0.35
ACR P10323 2/20 0.35
RAB9A P51151 2/20 0.35
GBA1 P04062 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
MAPT P10636 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
HTT P42858 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL28971309 0.93 KDM4E (0.40) KDM4EKMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL28971338 0.91 PRSS1 (0.40) KDM4EKMT2AMEN1SMN1; SMN2PRSS1
SCHEMBL28971250 0.91 HIF1A (0.37) KDM4EKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL28971254 0.90 KMT2A (0.39) KDM4EKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL28971313 0.87 KMT2A (0.42) KMT2AMEN1NPC1SMN1; SMN2RAB9A
SCHEMBL28971281 0.87 KDM4E (0.40) KDM4EKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL740580 0.86 KDM4E (0.48) KDM4EKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL3123277 0.86 HTT (0.43) KDM4ENPC1SMN1; SMN2RAB9AL3MBTL1
SCHEMBL28971258 0.85 MAPT (0.40) KMT2AMEN1NPC1MAPTTP53
Ammonia Solution, Strong SCHEMBL27964628 0.85 HTT (0.42) KDM4ENPC1SMN1; SMN2RAB9AL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115650929-B Ester compound containing isoxazoline, preparation method and application 西北农林科技大学 2024-03-15 CN disclosed
CN-115650929-A Isoxazoline-containing ester compound, preparation method and application 西北农林科技大学 2023-01-31 CN disclosed