SCHEMBL23949908

SCHEMBL23949908

CC[C@H]1[C@@H](C)c2cc(C(=O)O)ccc2N[C@H]1c1ccccc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK2 Q92630 1/20 0.41
▸ MAPT P10636 4/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ POLB P06746 4/20 0.38
▸ GAA P10253 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ NSD2 O96028 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ PABPC1 P11940 1/20 0.38
▸ PLK1 P53350 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.37
▸ AR P10275 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ APOBEC3A P31941 1/20 0.35
▸ APOBEC3G Q9HC16 1/20 0.35

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
SCHEMBL23950051 0.80 ESR1 (0.58) MAPTMEN1KMT2APOLBGAA
SCHEMBL23949921 0.78 NR4A1 (0.41) MAPTMEN1KMT2APOLBGAA
SCHEMBL23949460 0.77 HNF4A (0.39) MAPTMEN1KMT2APOLBGAA
SCHEMBL23949491 0.76 MEN1 (0.42) MAPTMEN1KMT2APOLBGAA
SCHEMBL13923892 0.75 KDM4E (0.44) MAPTMEN1KMT2APOLBGAA
SCHEMBL14020880 0.67 KIF11 (0.54) MEN1KMT2AGAAKDM4EAR
SCHEMBL23949923 0.65 MAPT (0.44) MAPTMEN1KMT2APOLBGAA
SCHEMBL20506706 0.65 GPER1 (0.71) MAPTMEN1KMT2APOLBGAA
SCHEMBL21105585 0.65 GPER1 (0.71) MAPTMEN1KMT2APOLBGAA
SCHEMBL2534264 0.64 DYRK2 (0.41) DYRK2MAPTMEN1KMT2APOLB

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
WO-2021209689-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING SWEET POTATO AGAINST SWEET POTATO PATHOGENIC VIRUSES HELSINGIN YLIOPISTO (FI) 2021-10-21 — — WO disclosed
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