SCHEMBL30753733

SCHEMBL30753733

COc1ccc(C[C@@H](CC(=O)Nc2ccc3ccccc3c2)NC(=O)[C@@H](N)CCCN)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ NPC1 O15118 1/20 0.43
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ LTA4H P09960 1/20 0.42
▸ LCK P06239 1/20 0.42
▸ HDAC3 O15379 2/20 0.41
▸ HDAC4 P56524 2/20 0.41
▸ HDAC1 Q13547 2/20 0.41
▸ HDAC7 Q8WUI4 2/20 0.41
▸ HDAC2 Q92769 2/20 0.41
▸ HDAC10 Q969S8 2/20 0.41
▸ HDAC11 Q96DB2 2/20 0.41
▸ HDAC8 Q9BY41 2/20 0.41
▸ HDAC6 Q9UBN7 2/20 0.41
▸ HDAC9 Q9UKV0 2/20 0.41
▸ HDAC5 Q9UQL6 2/20 0.41
▸ POLB P06746 1/20 0.40

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
SCHEMBL30753712 0.91 RAB9A (0.47) RAB9AGAASMN1; SMN2NPC1KMT2A
SCHEMBL30753700 0.91 SMN1; SMN2 (0.47) RAB9AGAASMN1; SMN2NPC1KMT2A
SCHEMBL30753720 0.91 RAB9A (0.47) RAB9AGAASMN1; SMN2NPC1KMT2A
SCHEMBL30753730 0.89 MC4R (0.45) RAB9AGAASMN1; SMN2NPC1KMT2A
SCHEMBL30753723 0.89 LTA4H (0.58) LTA4H
SCHEMBL30753715 0.89 RAB9A (0.44) RAB9AGAASMN1; SMN2NPC1KMT2A
SCHEMBL30753725 0.87 MEN1 (0.44) RAB9AGAASMN1; SMN2NPC1KMT2A
SCHEMBL30753734 0.86 RAB9A (0.41) RAB9AGAASMN1; SMN2NPC1KMT2A
SCHEMBL30753713 0.81 BDKRB2 (0.46) RAB9ASMN1; SMN2NPC1HDAC3HDAC4
SCHEMBL30753716 0.78 HDAC6 (0.48) RAB9ASMN1; SMN2NPC1KMT2AMEN1

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-117486762-A Novel compound and use method and application thereof 中国医学科学院医药生物技术研究所 2024-02-02 — — CN disclosed
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