SCHEMBL29066496

SCHEMBL29066496

O=C(NN=Cc1cc(C(F)(F)F)ccc1F)c1cscn1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
POLB P06746 1/20 0.42
PTBP1 P26599 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
PHGDH O43175 1/20 0.39
NPC1 O15118 5/20 0.39
RAB9A P51151 4/20 0.38
MAPT P10636 6/20 0.38
GAA P10253 2/20 0.38
BACE1 P56817 1/20 0.38
MEN1 O00255 2/20 0.37
PKM P14618 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL29066495 1.00 KDM4E (0.42) KDM4EKMT2ALMNAHTTSMN1; SMN2
SCHEMBL29066504 0.91 KDM4E (0.42) KDM4EKMT2ALMNAHTTSMN1; SMN2
SCHEMBL29066503 0.91 KDM4E (0.42) KDM4EKMT2ALMNAHTTSMN1; SMN2
SCHEMBL29066480 0.85 MAPT (0.48) KDM4EKMT2ALMNAHTTSMN1; SMN2
SCHEMBL30421177 0.85 MAPT (0.48) KDM4EKMT2ALMNAHTTSMN1; SMN2
SCHEMBL29066478 0.85 MAPT (0.48) KDM4EKMT2ALMNAHTTSMN1; SMN2
SCHEMBL29066494 0.75 MAPT (0.61) KDM4EKMT2ALMNASMN1; SMN2POLB
SCHEMBL29066493 0.75 MAPT (0.61) KDM4EKMT2ALMNASMN1; SMN2POLB
SCHEMBL29066490 0.72 KDM4E (0.60) KDM4EKMT2ALMNAHTTSMN1; SMN2
SCHEMBL29066479 0.71 RAB9A (0.48) KMT2ASMN1; SMN2TDP1POLBNPC1

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-116283822-A Thiazole and imidazo [1,2-a ] pyridine acylhydrazone compounds and application thereof 西北农林科技大学 2023-06-23 CN claimed
CN-116283822-A Thiazole and imidazo [1,2-a ] pyridine acylhydrazone compounds and application thereof 西北农林科技大学 2023-06-23 CN disclosed