SCHEMBL29208378

SCHEMBL29208378

N#Cc1ccc2ccn(Cc3cn(CCCOC(N)=O)cn3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ 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
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MCL1 Q07820 5/20 0.35
▸ BACE1 P56817 1/20 0.34
▸ ADA P00813 2/20 0.34
▸ CDC7 O00311 4/20 0.34
▸ CDK2 P24941 2/20 0.34
▸ MAP3K14 Q99558 1/20 0.34
▸ CPB1 P15086 1/20 0.33
▸ CPB2 Q96IY4 1/20 0.33
▸ PRMT5 O14744 1/20 0.33

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
SCHEMBL29208420 0.86 ALDH1A1 (0.37) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL29208495 0.85 ADA (0.35) MCL1ADACPB1CPB2
SCHEMBL25423499 0.84 ALDH1A1 (0.42) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL29208433 0.83 EP300 (0.41) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL25424064 0.83 ALDH1A1 (0.40) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL25424956 0.82 ALDH1A1 (0.46) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL29208368 0.79 CCNC (0.42) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL25424948 0.78 ALDH1A1 (0.40) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL30991791 0.75 CDC7 (0.41) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL24414579 0.75 CDC7 (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
Send feedback