SCHEMBL29208497

SCHEMBL29208497

CC(C)(C)OC(=O)NCCOCCOCCOCCNC(=O)c1ccc(Cn2ccc3ccc(CN)cc32)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SUCNR1 Q9BXA5 1/20 0.35
▸ DDB1 Q16531 2/20 0.35
▸ CRBN Q96SW2 2/20 0.35
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ HDAC8 Q9BY41 2/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ HDAC9 Q9UKV0 1/20 0.34
▸ HDAC5 Q9UQL6 1/20 0.34
▸ NCOR2 Q9Y618 1/20 0.34
▸ BCHE P06276 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ P2RY14 Q15391 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
SCHEMBL25424001 0.88 HDAC8 (0.35) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL29208352 0.86 KDM4E (0.38) SUCNR1ADORA2AADORA1BCHECNR2
SCHEMBL29208438 0.81 LOXL2 (0.38) DDB1CRBNADORA2AADORA1HDAC8
SCHEMBL30991815 0.76 MTNR1A (0.42) HDAC8HDAC1HDAC6CA1CA2
SCHEMBL24414562 0.76 MTNR1A (0.42) HDAC8HDAC1HDAC6CA1CA2
SCHEMBL29208400 0.76 HDAC8 (0.47) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL29208453 0.74 PLK1 (0.38) DDB1CRBNHDAC8HRH3CA1
SCHEMBL25426443 0.74 ALDH1A1 (0.43) EPHX2HTR2C
SCHEMBL29208443 0.73 CA1 (0.37) DDB1CRBNADORA1HRH3PARP1
SCHEMBL29208477 0.73 ALDH1A1 (0.40) EPHX2HTR2C

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 3 patents. 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
WO-2022047186-A1 TARGET ENGAGEMENT ASSAY FOR RAS PROTEINS PROMEGA CORPORATION (US) 2022-03-03 — — WO disclosed
US-20220064696-A1 TARGET ENGAGEMENT ASSAY FOR RAS PROTEINS PROMEGA CORPORATION (US) 2022-03-03 — — US disclosed
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