SCHEMBL24089635

SCHEMBL24089635

CN(CCO)c1ccc2c(c1)C(C)(C)c1cc(/C=C(\C#N)c3nc4ccccc4s3)sc1-2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.42
▸ KMT2A Q03164 5/20 0.42
▸ MAPT P10636 4/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ LMNA P02545 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ RECQL P46063 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 2/20 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
SCHEMBL21234730 0.87 MEN1 (0.45) MEN1KMT2AMAPTRAB9ALMNA
SCHEMBL24089691 0.85 MAPT (0.40) MEN1KMT2AMAPTRAB9ALMNA
SCHEMBL21160097 0.82 MEN1 (0.47) MEN1KMT2AMAPTRAB9ALMNA
SCHEMBL24089748 0.81 MEN1 (0.43) MEN1KMT2AMAPTRAB9ALMNA
SCHEMBL21037425 0.78 MEN1 (0.61) MEN1KMT2AMAPTRAB9ALMNA
SCHEMBL21037408 0.78 APP (0.51) MEN1KMT2AMAPTRAB9ALMNA
SCHEMBL24089835 0.77 MEN1 (0.52) MEN1KMT2AMAPTRAB9ALMNA
SCHEMBL24089605 0.77 MAPT (0.36) MAPT
SCHEMBL21036989 0.77 MEN1 (0.49) MEN1KMT2AMAPTRAB9ALMNA
SCHEMBL24089788 0.75 APP (0.34) MEN1KMT2AMAPTRAB9AALDH1A1

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
US-20210382060-A1 FLUORESCENT PROBE AND PREPARATION METHOD AND USE THEREOF Shanghai Glory Capital Management Ltd. (CN) 2021-12-09 — — US disclosed
Send feedback