SCHEMBL24732017

SCHEMBL24732017

CC(C)C1CCN(CCS(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ ALDH1A1 P00352 3/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ HTR7 P34969 3/20 0.48
▸ GAA P10253 1/20 0.46
▸ HTR2A P28223 2/20 0.46
▸ KCNH2 Q12809 2/20 0.46
▸ HTR2C P28335 1/20 0.45
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ PSIP1 O75475 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HTR1A P08908 1/20 0.41
▸ DRD2 P14416 2/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41
▸ CCR5 P51681 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
SCHEMBL14375268 0.84 MEN1 (0.63) KMT2AMEN1ALDH1A1MAPK1HTR7
SCHEMBL10719794 0.82 MEN1 (0.51) KMT2AMEN1ALDH1A1MAPK1HTR7
SCHEMBL18705122 0.79 KMT2A (0.61) KMT2AMEN1ALDH1A1MAPK1HTR7
SCHEMBL18390001 0.79 MEN1 (0.69) KMT2AMEN1ALDH1A1MAPK1HTR7
SCHEMBL14476103 0.78 MEN1 (0.73) KMT2AMEN1ALDH1A1MAPK1HTR7
SCHEMBL18712880 0.77 KMT2A (0.55) KMT2AMEN1ALDH1A1MAPK1HTR7
SCHEMBL13604236 0.77 KMT2A (0.71) KMT2AMEN1ALDH1A1MAPK1HTR7
SCHEMBL12204584 0.76 ALDH1A1 (0.76) KMT2AMEN1ALDH1A1MAPK1HTR7
Fumaric Acid SCHEMBL10718456 0.76 HTR2A (0.46) KMT2AMEN1HTR2AHTR1ADRD2
SCHEMBL15965548 0.75 ALDH1A1 (0.60) KMT2AMEN1ALDH1A1MAPK1HTR7

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-2023223055-A1 ANTI-VIRAL COMPOUNDS Infex Therapeutics Limited (GB) 2023-11-23 — — WO disclosed
WO-2022189810-A1 ANTI-VIRAL COMPOUNDS Infex Therapeutics Limited (GB) 2022-09-15 — — WO disclosed
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