SCHEMBL28441892

SCHEMBL28441892

CC1(C)O[C@H]2[C@H](n3ccc4c(Cl)ncnc43)O[C@](C)(COc3cccc([N+](=O)[O-])c3)[C@@H]2O1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 6/20 0.37
▸ WDR77 Q9BQA1 6/20 0.37
▸ CHRNB4 P30926 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ CHRNB2 P17787 2/20 0.34
▸ CHRNA4 P43681 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ FAAH O00519 2/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ ENPP2 Q13822 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL28438196 0.86 PRMT5 (0.44) PRMT5WDR77
SCHEMBL20721420 0.82 PRMT5 (0.43) PRMT5WDR77CHRNB4CHRNA3CHRNB2
SCHEMBL28439637 0.81 PRMT5 (0.41) PRMT5WDR77
SCHEMBL21682243 0.77 PRMT5 (0.40) PRMT5WDR77
SCHEMBL28442864 0.74 PRMT5 (0.48) PRMT5WDR77
SCHEMBL21682198 0.71 PRMT5 (0.63) PRMT5WDR77
SCHEMBL20721464 0.68 PRMT5 (0.49) PRMT5WDR77
SCHEMBL29392351 0.68 PRMT5 (0.49) PRMT5WDR77
SCHEMBL18571918 0.67 PRMT5 (0.42) PRMT5WDR77
SCHEMBL20721605 0.67 PRMT5 (0.54) PRMT5WDR77

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-111527099-A Selective inhibitors of protein arginine methyltransferase 5(PRMT5) 普莱鲁德疗法有限公司 2020-08-11 — — CN disclosed
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