SCHEMBL29208420

SCHEMBL29208420

N#Cc1ccc2ccn(Cc3cn(CCCCC(=O)NCCOCCOCCOCCOC(N)=O)cn3)c2c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.37
▸ KDM4E B2RXH2 4/20 0.37
▸ TSHR P16473 4/20 0.37
▸ HSD17B10 Q99714 4/20 0.37
▸ HPGD P15428 3/20 0.37
▸ GLA P06280 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ USP2 O75604 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MTNR1A P48039 2/20 0.33
▸ MTNR1B P49286 2/20 0.33
▸ BACE1 P56817 1/20 0.32
▸ ADA P00813 3/20 0.31
▸ PTGER4 P35408 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL25424948 0.92 ALDH1A1 (0.40) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL29208415 0.88 CCNC (0.36) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL29208378 0.86 ALDH1A1 (0.39) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL29208419 0.85 KDM4E (0.38) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL25426273 0.80 MTNR1A (0.34) MTNR1AMTNR1BADALMNASMN1; SMN2
SCHEMBL25424064 0.80 ALDH1A1 (0.40) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL25423499 0.80 ALDH1A1 (0.42) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL25424956 0.78 ALDH1A1 (0.46) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL29208443 0.77 CA1 (0.37) MTNR1AMTNR1B
SCHEMBL25423878 0.76 KDM4E (0.41) 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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