SCHEMBL28426453

SCHEMBL28426453

Cc1c(Cl)ccc(C(=O)O[C@@H]2SC(O)[C@@H](F)[C@@H]2OC(=O)c2ccc(Cl)cc2Cl)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ MAPT P10636 6/20 0.37
▸ LMNA P02545 1/20 0.36
▸ SMN1; SMN2 Q16637 5/20 0.35
▸ RAB9A P51151 5/20 0.35
▸ NPC1 O15118 4/20 0.35
▸ HPGD P15428 4/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ PKM P14618 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ NR1H4 Q96RI1 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MEN1 O00255 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
SCHEMBL28428626 0.88 KMT2A (0.36) KMT2ACYP1A2CYP2C9CYP2C19MAPT
SCHEMBL16774479 0.80 LGALS3 (0.37) KMT2ACYP1A2CYP2C9CYP2C19MAPT
SCHEMBL28422851 0.79 KMT2A (0.38) KMT2ACYP1A2CYP2C9CYP2C19MAPT
SCHEMBL15481835 0.74 KMT2A (0.40) KMT2ACYP1A2CYP2C9CYP2C19MAPT
SCHEMBL16756894 0.74 KMT2A (0.40) KMT2ACYP1A2CYP2C9CYP2C19MAPT
SCHEMBL28428520 0.70 LGALS3 (0.36) KMT2ACYP1A2MAPTSMN1; SMN2RAB9A
SCHEMBL18298145 0.68 FLT1 (0.36) KMT2ACYP1A2CYP2C9CYP2C19MAPT
SCHEMBL28428818 0.68 LGALS3 (0.40) CYP1A2CYP2C19MAPTLMNARAB9A
SCHEMBL28422992 0.68 MEN1 (0.33) KMT2ACYP1A2CYP2C19MEN1
SCHEMBL28426565 0.67 LGALS3 (0.34) KMT2ACYP1A2CYP2C9CYP2C19MAPT

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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