SCHEMBL29046136

SCHEMBL29046136

CCC(=O)c1ncnc2nc[nH]c12.Sc1ccnc(S)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ HTT P42858 4/20 0.40
▸ HPGD P15428 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ TP53 P04637 5/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ MAPT P10636 4/20 0.39
▸ CDC7 O00311 4/20 0.38
▸ TSHR P16473 3/20 0.38
▸ DBF4 Q9UBU7 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HSD17B10 Q99714 3/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ PDPK1 O15530 1/20 0.36

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
SCHEMBL30484606 0.83 TSHR (0.50) SMN1; SMN2HTTHPGDALDH1A1LMNA
SCHEMBL5241436 0.68 TSHR (0.54) SMN1; SMN2ALDH1A1LMNANPC1RAB9A
SCHEMBL2843842 0.66 TOP2A (0.51) SMN1; SMN2HTTHPGDALDH1A1LMNA
SCHEMBL2399636 0.65 PI4KA (0.46) SMN1; SMN2HTTHPGDALDH1A1LMNA
SCHEMBL1749123 0.65 PI4KA (0.53) SMN1; SMN2HTTHPGDALDH1A1LMNA
SCHEMBL4520816 0.65 PI4KA (0.48) SMN1; SMN2HTTHPGDALDH1A1LMNA
SCHEMBL28864069 0.64 PI4KA (0.49) SMN1; SMN2HTTLMNACYP1A2HIF1A
SCHEMBL31456991 0.64 MKNK1 (0.57) SMN1; SMN2HTTHPGDLMNANPC1
SCHEMBL27376395 0.64 MKNK1 (0.57) SMN1; SMN2HTTHPGDLMNANPC1
Mercaptopurine Anhydrous SCHEMBL28474534 0.63 HSD17B10 (0.50) SMN1; SMN2HTTLMNACYP1A2HIF1A

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
CN-116731798-A Fluorine-free cleaning agent, and preparation method and application thereof 嘉庚创新实验室 2023-09-12 — — CN disclosed
CN-114317127-B Fluorine-free cleaning agent, and preparation method and application thereof 嘉庚创新实验室 2023-07-04 — — CN disclosed
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