SCHEMBL28428626

SCHEMBL28428626

CC(=O)O[C@@H]1S[C@@H](OC(=O)c2ccc(Cl)c(C)c2Cl)[C@@H](OC(=O)c2ccc(Cl)cc2Cl)[C@@H]1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ MAPT P10636 5/20 0.36
▸ LMNA P02545 1/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ HPGD P15428 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ PKM P14618 1/20 0.32
▸ GABRA1 P14867 3/20 0.32
▸ GABRG2 P18507 3/20 0.32
▸ GABRB3 P28472 3/20 0.32
▸ GABRB2 P47870 2/20 0.32
▸ CASP3 P42574 1/20 0.32
▸ SENP7 Q9BQF6 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CASP1 P29466 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
SCHEMBL28426453 0.88 KMT2A (0.38) KMT2ACYP1A2CYP2C9CYP2C19MAPT
SCHEMBL28426565 0.81 LGALS3 (0.34) KMT2ACYP1A2CYP2C9CYP2C19MAPT
SCHEMBL15481895 0.78 KMT2A (0.40) KMT2ACYP1A2CYP2C9CYP2C19MAPT
SCHEMBL28422851 0.76 KMT2A (0.38) KMT2ACYP1A2CYP2C9CYP2C19MAPT
SCHEMBL28423026 0.72 MET (0.36) KMT2ACYP1A2MAPTSMN1; SMN2NPC1
SCHEMBL28427485 0.69 KDM4E (0.39) CYP2C19MAPTHPGDALDH1A1
SCHEMBL28422972 0.69 HTT (0.36) KMT2ACYP1A2CYP2C9CYP2C19MAPT
SCHEMBL28417749 0.69 MEN1 (0.32) KMT2ACYP1A2CYP2C19
SCHEMBL28627968 0.68 TSHR (0.39) KMT2ALMNATSHR
SCHEMBL28709000 0.68 NPC1 (0.39) KMT2AMAPTLMNANPC1RAB9A

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-107011168-B Synthesis intermediates of cytosines and synthesis intermediates of thionucleosides 富士胶片株式会社 2020-06-09 — — CN disclosed
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