SCHEMBL10802471

SCHEMBL10802471

CN(C(=O)Cl)c1cccc(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR3E A5X5Y0 1/20 0.61
▸ HTR3B O95264 1/20 0.61
▸ HTR3A P46098 1/20 0.61
▸ HTR3D Q70Z44 1/20 0.61
▸ HTR3C Q8WXA8 1/20 0.61
▸ HSD17B1 P14061 2/20 0.48
▸ HSD17B2 P37059 2/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ MAPT P10636 5/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ LMNA P02545 3/20 0.48
▸ USP2 O75604 1/20 0.48
▸ TP53 P04637 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ NFKB2 Q00653 1/20 0.47
▸ RELA Q04206 1/20 0.47
▸ SMN1; SMN2 Q16637 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
SCHEMBL6386464 0.85 HTR3E (0.61) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6629827 0.85 HTR3E (0.61) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2096198 0.85 HTR3E (0.61) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL31715773 0.85 HTR3E (0.61) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2096196 0.85 HTR3E (0.61) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL10942168 0.83 HTR3E (0.59) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL27570742 0.83 HTR3E (0.69) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9956212 0.81 HSD17B1 (0.55) HSD17B1HSD17B2KMT2AMEN1LMNA
SCHEMBL30937218 0.81 HSD17B1 (0.55) HSD17B1HSD17B2KMT2AMEN1LMNA
SCHEMBL4471441 0.80 HTR3E (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C

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
US-4668831-A 3-TERTIARY-BUTYLPHENOL, SULFURYL CHLORIDE TOYO SODA MANUFACTURING CO., LTD. (JP) 1987-05-26 — — US disclosed
EP-0173993-A1 Tert-butyl-halophenol TOYO SODA MANUFACTURING CO., LTD. (JP) 1986-03-12 — — EP disclosed
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