SCHEMBL29208441

SCHEMBL29208441

N#Cc1ccc2ccn(Cc3cccc(COC(N)=O)c3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.51
▸ KDM4E B2RXH2 5/20 0.51
▸ TSHR P16473 4/20 0.51
▸ HSD17B10 Q99714 4/20 0.51
▸ HPGD P15428 3/20 0.51
▸ GLA P06280 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ USP2 O75604 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ APP P05067 3/20 0.42
▸ SNCA P37840 3/20 0.42
▸ ADRA1D P25100 1/20 0.41
▸ PLA2G10 O15496 1/20 0.40
▸ PLA2G2A P14555 1/20 0.40
▸ BACE1 P56817 2/20 0.40
▸ PLAU P00749 2/20 0.39
▸ CDC7 O00311 1/20 0.39
▸ CDK2 P24941 1/20 0.39

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
SCHEMBL29208411 0.90 ALDH1A1 (0.48) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL29208388 0.83 HDAC8 (0.42) KDM4EAPPSNCABACE1PLAU
SCHEMBL25426301 0.79 ALDH1A1 (0.66) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL14783862 0.77 FFAR1 (0.53) GLAADRA1D
SCHEMBL29208381 0.76 ALDH1A1 (0.56) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL29587490 0.76 ALDH1A1 (0.56) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL1520652 0.73 ALDH1A1 (0.60) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL29208366 0.73 HDAC8 (0.47) APPSNCABACE1PLAUPLG
SCHEMBL30991821 0.73 MAOB (0.56) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL24414699 0.73 MAOB (0.56) ALDH1A1KDM4ETSHRHSD17B10HPGD

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-116391129-A Target binding assays for RAS proteins 普罗美加公司 2023-07-04 — — CN disclosed
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