SCHEMBL29208433

SCHEMBL29208433

N#Cc1ccc2ccn(Cc3cn(CCCOC(N)=O)nn3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EP300 Q09472 10/20 0.41
▸ ALDH1A1 P00352 5/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ TSHR P16473 4/20 0.39
▸ HSD17B10 Q99714 4/20 0.39
▸ HPGD P15428 3/20 0.39
▸ GLA P06280 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ USP2 O75604 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ HDAC1 Q13547 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ HDAC8 Q9BY41 2/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ CRBN Q96SW2 1/20 0.35
▸ BACE1 P56817 1/20 0.34

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
SCHEMBL29208382 0.85 EP300 (0.43) EP300HDAC1HDAC8HDAC2HDAC6
SCHEMBL29208378 0.83 ALDH1A1 (0.39) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL25423945 0.82 ALDH1A1 (0.46) EP300ALDH1A1KDM4ETSHRHSD17B10
SCHEMBL29208421 0.79 ALDH1A1 (0.41) EP300ALDH1A1KDM4ETSHRHSD17B10
SCHEMBL29208411 0.73 ALDH1A1 (0.48) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL29208420 0.71 ALDH1A1 (0.37) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL29208441 0.70 ALDH1A1 (0.51) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL25425260 0.68 EP300 (0.45) EP300HDAC1HDAC8HDAC2HDAC6
SCHEMBL29208495 0.68 ADA (0.35) HDAC1MCL1HDAC8HDAC2HDAC6
SCHEMBL1520652 0.68 ALDH1A1 (0.60) 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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