SCHEMBL30487727

SCHEMBL30487727

CCCC(C(=O)O)n1cnc(Cn2ccc3ccc(C#N)cc32)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ TSHR P16473 4/20 0.42
▸ HSD17B10 Q99714 4/20 0.42
▸ HPGD P15428 3/20 0.42
▸ GLA P06280 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ USP2 O75604 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ ADA P00813 4/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PRMT5 O14744 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.35
▸ CCR9 P51686 2/20 0.35
▸ ACSS2 Q9NR19 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ CDC7 O00311 5/20 0.33
▸ CDK2 P24941 2/20 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
SCHEMBL30487728 0.91 ALDH1A1 (0.39) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL30487736 0.80 ALDH1A1 (0.42) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL30991791 0.77 CDC7 (0.41) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL24414579 0.77 CDC7 (0.41) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL25423499 0.74 ALDH1A1 (0.42) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL25425808 0.73 ALDH1A1 (0.47) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL29587844 0.73 ALDH1A1 (0.47) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL30487725 0.73 ALDH1A1 (0.41) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL25424956 0.72 ALDH1A1 (0.46) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL25424064 0.71 ALDH1A1 (0.40) 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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