SCHEMBL29208477

SCHEMBL29208477

N#Cc1ccc2ccn(Cc3ccc(C(=O)NCCOCCOCCOCCOC(N)=O)s3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ TSHR P16473 4/20 0.40
▸ HSD17B10 Q99714 4/20 0.40
▸ HPGD P15428 3/20 0.40
▸ GLA P06280 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ USP2 O75604 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ EPHX2 P34913 2/20 0.36
▸ PTGER4 P35408 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ HTR2C P28335 1/20 0.32
▸ EGLN1 Q9GZT9 2/20 0.31
▸ PRMT5 O14744 1/20 0.31
▸ DRD2 P14416 1/20 0.30
▸ DRD4 P21917 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
SCHEMBL25426443 0.91 ALDH1A1 (0.43) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL29208352 0.86 KDM4E (0.38) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL25424001 0.77 HDAC8 (0.35) USP2EPHX2KMT2AHTR2CJAK3
SCHEMBL25423743 0.77 ALDH1A1 (0.46) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL25424830 0.76 ALDH1A1 (0.49) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL29208419 0.74 KDM4E (0.38) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL29208497 0.73 SUCNR1 (0.35) EPHX2HTR2C
SCHEMBL29208420 0.73 ALDH1A1 (0.37) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL25425148 0.70 KDM4E (0.42) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL29208411 0.69 ALDH1A1 (0.48) 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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