SCHEMBL20198124

SCHEMBL20198124

CCCC1CC1CCC(=O)C(OC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.46
▸ PKM P14618 4/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ ALDH1A1 P00352 5/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ POLB P06746 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ MDM2 Q00987 1/20 0.44
▸ GAA P10253 2/20 0.41
▸ MEN1 O00255 1/20 0.41

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
SCHEMBL16744476 0.89 KMT2A (0.53) KMT2APKMSMN1; SMN2NPSR1ALDH1A1
SCHEMBL18634071 0.80 KMT2A (0.52) KMT2APKMSMN1; SMN2NPSR1ALDH1A1
SCHEMBL15100843 0.76 KMT2A (0.55) KMT2APKMSMN1; SMN2NPSR1ALDH1A1
SCHEMBL20408697 0.75 KMT2A (0.57) KMT2APKMSMN1; SMN2NPSR1ALDH1A1
SCHEMBL22365059 0.70 MAOA (0.44) PKMSMN1; SMN2POLBGAA
SCHEMBL18634273 0.70 MGLL (0.53) KMT2APKMSMN1; SMN2ALDH1A1POLB
SCHEMBL18634072 0.70 GPR183 (0.50) KMT2APKMSMN1; SMN2POLBGAA
SCHEMBL18634193 0.70 F13A1 (0.46) KMT2APKMSMN1; SMN2ALDH1A1GAA
SCHEMBL20198164 0.68 HTR1A (0.45) KMT2APKMSMN1; SMN2ALDH1A1GAA
SCHEMBL20411236 0.68 PKM (0.47) PKMSMN1; SMN2POLBGAA

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
EP-3326627-A1 CARBAMATE COMPOUNDS AND OF MAKING AND USING SAME Abide Therapeutics, Inc. (US) 2018-05-30 — — EP disclosed
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