SCHEMBL25143602

SCHEMBL25143602

Cc1nc(NC(=O)c2ccccc2NC(=O)CCCCCNC(=O)OC(C)(C)C)sc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ CYP3A4 P08684 1/20 0.44
▸ HDAC3 O15379 12/20 0.44
▸ ATAD2 Q6PL18 1/20 0.43
▸ HDAC1 Q13547 10/20 0.43
▸ PKM P14618 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ MCOLN3 Q8TDD5 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42

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
SCHEMBL25143066 0.90 NPC1 (0.50) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL24072476 0.90 MAPT (0.43) NPC1RAB9ACYP3A4HDAC3HDAC1
SCHEMBL25142563 0.89 RAB9A (0.47) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL30142692 0.88 CYP3A4 (0.41) CYP3A4HDAC3HDAC1SMN1; SMN2HDAC2
SCHEMBL25143314 0.87 RAB9A (0.53) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL25143465 0.87 RAB9A (0.53) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL31665594 0.85 RAB9A (0.55) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL25143086 0.83 RAB9A (0.55) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL25143490 0.83 RAB9A (0.57) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL25143063 0.83 RAB9A (0.57) NPC1RAB9AMEN1KMT2ARXFP1

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
WO-2023061440-A1 MODIFIED PROTEINS AND PROTEIN DEGRADERS CULLGEN (SHANGHAI), INC. (CN) 2023-04-20 — — WO disclosed
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