SCHEMBL23904647

SCHEMBL23904647

NC(=O)CCCCCCCCCCCC(=O)Nc1ccnc2cc(Cl)ccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 2/20 0.57
▸ CCR1 P32246 1/20 0.53
▸ CYP1A2 P05177 1/20 0.52
▸ FERMT2 Q96AC1 4/20 0.52
▸ MAPT P10636 3/20 0.52
▸ GAA P10253 2/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ KMT5B Q4FZB7 1/20 0.47
▸ KMT5C Q86Y97 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ JAK2 O60674 1/20 0.47
▸ ABL1 P00519 1/20 0.47
▸ NTRK1 P04629 1/20 0.47
▸ RET P07949 1/20 0.47
▸ GSK3A P49840 1/20 0.47
▸ GSK3B P49841 1/20 0.47
▸ JAK3 P52333 1/20 0.47
▸ MAP2K1 Q02750 1/20 0.47

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
SCHEMBL23904644 0.92 FERMT2 (0.62) NR4A2CCR1CYP1A2FERMT2MAPT
SCHEMBL23904645 0.90 NR4A2 (0.70) NR4A2CCR1CYP1A2FERMT2MAPT
SCHEMBL23340249 0.90 NR4A2 (0.57) NR4A2CCR1CYP1A2FERMT2MAPT
SCHEMBL27450988 0.89 FERMT2 (0.63) NR4A2CCR1CYP1A2FERMT2MAPT
SCHEMBL23883137 0.87 NR4A2 (0.54) NR4A2CCR1CYP1A2FERMT2MAPT
SCHEMBL23340476 0.87 NR4A2 (0.54) NR4A2CCR1CYP1A2FERMT2MAPT
SCHEMBL23340187 0.82 CYP1A2 (0.64) NR4A2CCR1CYP1A2FERMT2MAPT
SCHEMBL16013968 0.81 CYP1A2 (0.72) NR4A2CCR1CYP1A2FERMT2MAPT
SCHEMBL23340236 0.79 CCR1 (0.72) NR4A2CCR1CYP1A2FERMT2KMT2A
SCHEMBL27953778 0.76 CYP1A2 (0.59) NR4A2CCR1CYP1A2FERMT2MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021202669-A2 NUCLEOSIDE AND NUCLEOTIDE CONJUGATE COMPOUNDS AND USES THEREOF REYOUNG CORPORATION (US) 2021-10-07 — — WO disclosed
WO-2021202669-A2 NUCLEOSIDE AND NUCLEOTIDE CONJUGATE COMPOUNDS AND USES THEREOF REYOUNG CORPORATION (US) 2021-10-07 — — WO disclosed
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