SCHEMBL28854653

SCHEMBL28854653

CCN(CC(C)O)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.67
▸ LMNA P02545 3/20 0.64
▸ KMT2A Q03164 6/20 0.57
▸ CYP1A2 P05177 2/20 0.57
▸ MEN1 O00255 5/20 0.56
▸ NPC1 O15118 3/20 0.56
▸ RAB9A P51151 3/20 0.56
▸ ABL1 P00519 3/20 0.56
▸ HTT P42858 2/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ HPGD P15428 2/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ RECQL P46063 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ SCD O00767 2/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ GAA P10253 1/20 0.45

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
SCHEMBL24954540 1.00 MAPT (0.67) MAPTLMNAKMT2ACYP1A2MEN1
SCHEMBL24954027 0.89 MAPT (0.51) MAPTLMNAKMT2ACYP1A2MEN1
SCHEMBL24953674 0.89 MAPT (0.51) MAPTLMNAKMT2ACYP1A2MEN1
SCHEMBL24954265 0.89 MAPT (0.51) MAPTLMNAKMT2ACYP1A2MEN1
SCHEMBL24953697 0.88 MAPT (0.69) MAPTLMNAKMT2ACYP1A2MEN1
SCHEMBL24952901 0.80 MAPT (0.41) MAPTLMNAKMT2ACYP1A2L3MBTL1
SCHEMBL24952900 0.79 MAPT (0.49) MAPTLMNAKMT2ACYP1A2MEN1
SCHEMBL24953789 0.77 MAPT (0.53) MAPTLMNAKMT2ACYP1A2MEN1
SCHEMBL24953812 0.77 MAPT (0.53) MAPTLMNAKMT2ACYP1A2MEN1
SCHEMBL2753861 0.76 LMNA (0.73) MAPTLMNAKMT2ACYP1A2MEN1

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-114845709-A MRGPRX2 antagonists for use in treating inflammatory disorders 德米拉公司 2022-08-02 — — CN disclosed
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